(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid

C20H30N2O4 — CID 99718207

IUPAC(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C20H30N2O4/c23-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)21-11-18(24)22-3-1-2-16(12-22)19(25)26/h13-16H,1-12H2,(H,21,23)(H,25,26)/t13?,14?,15?,16-,20?/m0/s1
InChIKeyDNSOMKNRELSWSD-OCABNYQQSA-N
MW362.47 g/mol
LogP2.03
Rot. Bonds5

About (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 99718207) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
PubChem CID99718207
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C20H30N2O4/c23-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)21-11-18(24)22-3-1-2-16(12-22)19(25)26/h13-16H,1-12H2,(H,21,23)(H,25,26)/t13?,14?,15?,16-,20?/m0/s1
InChIKeyDNSOMKNRELSWSD-OCABNYQQSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

2-(1-adamantyl)-N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 119485530
ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
CID 55844696
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
2-(1-adamantyl)-N-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55976680
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120529560
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid (CID 99718207) is (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is DNSOMKNRELSWSD-OCABNYQQSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)21-11-18(24)22-3-1-2-16(12-22)19(25)26/h13-16H,1-12H2,(H,21,23)(H,25,26)/t13?,14?,15?,16-,20?/m0/s1.
What are the key properties of (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99718207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).