(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid

C23H39N3O6 — CID 10004062

IUPAC(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H39N3O6/c1-16(14-20(28)29)24-19(27)15-26-11-5-6-18(21(26)30)8-7-17-9-12-25(13-10-17)22(31)32-23(2,3)4/h16-18H,5-15H2,1-4H3,(H,24,27)(H,28,29)/t16-,18+/m1/s1
InChIKeyGOWDJLBTNNSDIA-AEFFLSMTSA-N
MW453.58 g/mol
LogP2.63
Rot. Bonds8

About (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid

(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid (PubChem CID 10004062) has the molecular formula C23H39N3O6 and a molecular weight of 453.58 g/mol. Its IUPAC name is (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
PubChem CID10004062
Molecular FormulaC23H39N3O6
Molecular Weight453.58 g/mol
Exact Mass453.28
IUPAC Name(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H39N3O6/c1-16(14-20(28)29)24-19(27)15-26-11-5-6-18(21(26)30)8-7-17-9-12-25(13-10-17)22(31)32-23(2,3)4/h16-18H,5-15H2,1-4H3,(H,24,27)(H,28,29)/t16-,18+/m1/s1
InChIKeyGOWDJLBTNNSDIA-AEFFLSMTSA-N
XLogP2.63
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10391090
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
CID 54269284
tert-butyl 4-[(2-oxo-3-phenyl-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
CID 174334692
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103766005
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxylate
CID 95636021
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]pentanoic acid
CID 107255030

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid?
The IUPAC name of (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid (CID 10004062) is (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid.
What is the SMILES notation for (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid?
The canonical SMILES for (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid is C[C@H](CC(=O)O)NC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid?
The InChIKey is GOWDJLBTNNSDIA-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H39N3O6/c1-16(14-20(28)29)24-19(27)15-26-11-5-6-18(21(26)30)8-7-17-9-12-25(13-10-17)22(31)32-23(2,3)4/h16-18H,5-15H2,1-4H3,(H,24,27)(H,28,29)/t16-,18+/m1/s1.
What are the key properties of (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid?
(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid has a molecular weight of 453.58 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid is sourced from PubChem (CID 10004062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).