(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid

C12H22N2O3 — CID 107565076

IUPAC(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CC1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-5-9(11(16)17)14-10(15)8-12(13)6-3-4-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyZRPBCKRKEQLAAJ-VIFPVBQESA-N
MW242.32 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid

(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid (PubChem CID 107565076) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
PubChem CID107565076
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CC1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-5-9(11(16)17)14-10(15)8-12(13)6-3-4-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyZRPBCKRKEQLAAJ-VIFPVBQESA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
(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
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
2-(1-aminocyclopentyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 64685767
2-(1-aminocyclopentyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 107222528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid (CID 107565076) is (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)CC1(N)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid?
The InChIKey is ZRPBCKRKEQLAAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-5-9(11(16)17)14-10(15)8-12(13)6-3-4-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107565076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).