(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid

C10H18N2O4 — CID 107839920

IUPAC(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCCC1NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-2-4-7(6)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyFIMHBCRVIRBZOH-RRQHEKLDSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid

(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 107839920) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID107839920
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCCC1NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-2-4-7(6)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyFIMHBCRVIRBZOH-RRQHEKLDSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042
2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 80541155
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid (CID 107839920) is (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid is CC1CCCC1NC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is FIMHBCRVIRBZOH-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-3-2-4-7(6)12-10(16)11-5-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107839920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).