(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid

C10H17N3O4 — CID 103870336

IUPAC(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-7(14)5-6(8(15)16)13-9(17)10(12)3-1-2-4-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1
InChIKeyYTMQECKMTUBFDS-ZCFIWIBFSA-N
MW243.26 g/mol
LogP-1.30
Rot. Bonds5

About (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid (PubChem CID 103870336) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
PubChem CID103870336
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-7(14)5-6(8(15)16)13-9(17)10(12)3-1-2-4-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1
InChIKeyYTMQECKMTUBFDS-ZCFIWIBFSA-N
XLogP-1.30
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
CID 71218807
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61160012
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 107824578
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid (CID 103870336) is (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The InChIKey is YTMQECKMTUBFDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-7(14)5-6(8(15)16)13-9(17)10(12)3-1-2-4-10/h6H,1-5,12H2,(H2,11,14)(H,13,17)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103870336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).