(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C14H24N2O5 — CID 107824195

IUPAC(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-12(18)6-5-10(13(19)20)16-11(17)9-14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1
InChIKeyJVVFHBYGCGRYAH-JTQLQIEISA-N
MW300.36 g/mol
LogP0.56
Rot. Bonds7

About (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107824195) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107824195
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-12(18)6-5-10(13(19)20)16-11(17)9-14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1
InChIKeyJVVFHBYGCGRYAH-JTQLQIEISA-N
XLogP0.56
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
2-(1-aminocyclohexyl)-N-(1-methoxypentan-2-yl)acetamide
CID 64677686
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 103870495
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
CID 65242121
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 64679805
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107824195) is (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is JVVFHBYGCGRYAH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O5/c1-21-12(18)6-5-10(13(19)20)16-11(17)9-14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).