2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid

C9H16N2O4 — CID 66967772

IUPAC2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid
SMILESN[C@@H](NC(C(=O)O)C1CCCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)11-6(8(12)13)5-3-1-2-4-5/h5-7,11H,1-4,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyLRGYJINMAGWHJT-MLWJPKLSSA-N
MW216.24 g/mol
LogP-0.41
Rot. Bonds5

About 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid

2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid (PubChem CID 66967772) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid
PubChem CID66967772
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid
SMILESN[C@@H](NC(C(=O)O)C1CCCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)11-6(8(12)13)5-3-1-2-4-5/h5-7,11H,1-4,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyLRGYJINMAGWHJT-MLWJPKLSSA-N
XLogP-0.41
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Cyclopentyl-2-(heptylamino)butanoic acid
CID 156013014
(S)-2-cyclopentyl-2-(methylamino)acetic acid
CID 23589229
(2S)-2-(cyclopentanecarbonylamino)heptanoic acid
CID 97337446
(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid
CID 69439969
6-Lysinopimelic acid
CID 129716790
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid
CID 62070572
9-(Carboxymethylamino)-11-methyldodecanoic acid
CID 9943795
4-(3-Cyclopentylpropyl)piperidine-2-carboxylic acid
CID 18446261
2,3,4,5,6,6a,7,8,9,9a-decahydro-1H-cyclopenta[b]azocine-2-carboxylic acid
CID 19902554
4-[[(1S)-1-amino-1-carboxy-2-cyclohexylethyl]amino]butanoic acid
CID 20707881
2-Cyclopentyl-2-(methylamino)acetic acid
CID 22259966
(2S)-2,6-diamino-6-(carboxymethylamino)hexanoic acid
CID 22809949

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid?
The IUPAC name of 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid (CID 66967772) is 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid.
What is the SMILES notation for 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid?
The canonical SMILES for 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid is N[C@@H](NC(C(=O)O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid?
The InChIKey is LRGYJINMAGWHJT-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-7(9(14)15)11-6(8(12)13)5-3-1-2-4-5/h5-7,11H,1-4,10H2,(H,12,13)(H,14,15)/t6?,7-/m0/s1.
What are the key properties of 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid?
2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-amino(carboxy)methyl]amino]-2-cyclopentylacetic acid is sourced from PubChem (CID 66967772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).