(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C12H18N4O3 — CID 103870452

IUPAC(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCC1
InChIInChI=1S/C12H18N4O3/c13-12(3-1-2-4-12)11(19)16-9(10(17)18)5-8-6-14-7-15-8/h6-7,9H,1-5,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyYERBWHZVDGSJTO-SECBINFHSA-N
MW266.30 g/mol
LogP-0.21
Rot. Bonds5

About (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 103870452) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID103870452
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCC1
InChIInChI=1S/C12H18N4O3/c13-12(3-1-2-4-12)11(19)16-9(10(17)18)5-8-6-14-7-15-8/h6-7,9H,1-5,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyYERBWHZVDGSJTO-SECBINFHSA-N
XLogP-0.21
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894530
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 79854627
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 103870373
3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 107864268
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 103870452) is (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is NC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCC1.
What is the InChIKey of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is YERBWHZVDGSJTO-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-12(3-1-2-4-12)11(19)16-9(10(17)18)5-8-6-14-7-15-8/h6-7,9H,1-5,13H2,(H,14,15)(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 103870452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).