1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid

C15H28N2O4 — CID 67882155

IUPAC1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
SMILESC[C@H](NC1CCCCC1)C(=O)O.NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17NO2.C6H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;7-6(5(8)9)3-1-2-4-6/h7-8,10H,2-6H2,1H3,(H,11,12);1-4,7H2,(H,8,9)/t7-;/m0./s1
InChIKeyPLKIRGDWKJKPMT-FJXQXJEOSA-N
MW300.40 g/mol
LogP1.72
Rot. Bonds4

About 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid

1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid (PubChem CID 67882155) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid.

Molecular Properties

Compound Name1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
PubChem CID67882155
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
SMILESC[C@H](NC1CCCCC1)C(=O)O.NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17NO2.C6H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;7-6(5(8)9)3-1-2-4-6/h7-8,10H,2-6H2,1H3,(H,11,12);1-4,7H2,(H,8,9)/t7-;/m0./s1
InChIKeyPLKIRGDWKJKPMT-FJXQXJEOSA-N
XLogP1.72
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
1-aminocyclopentane-1-carboxylic acid
CID 2901
1-[1-(cyclopentylamino)ethyl]cyclopentane-1-carboxylic acid
CID 91470883
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The IUPAC name of 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid (CID 67882155) is 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid.
What is the SMILES notation for 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The canonical SMILES for 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid is C[C@H](NC1CCCCC1)C(=O)O.NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid?
The InChIKey is PLKIRGDWKJKPMT-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H17NO2.C6H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;7-6(5(8)9)3-1-2-4-6/h7-8,10H,2-6H2,1H3,(H,11,12);1-4,7H2,(H,8,9)/t7-;/m0./s1.
What are the key properties of 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid?
1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid is sourced from PubChem (CID 67882155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).