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

C10H18N2O4 — CID 104937677

IUPAC(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-2-3-7(4-6)11-10(16)12-8(5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyRRLRTWOUWHDVFL-RRQHEKLDSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds4

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

(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 104937677) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID104937677
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-2-3-7(4-6)11-10(16)12-8(5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyRRLRTWOUWHDVFL-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

(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-[(1,1-dioxothian-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 61201461
2-(cyclopropylcarbamoylamino)-4-methylsulfonylbutanoic acid
CID 61188645

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid (CID 104937677) is (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid is CC1CCC(NC(=O)N[C@@H](CO)C(=O)O)C1.
What is the InChIKey of (2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is RRLRTWOUWHDVFL-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-2-3-7(4-6)11-10(16)12-8(5-13)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)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid?
(2S)-3-hydroxy-2-[(3-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)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 104937677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).