(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid

C11H20N2O3 — CID 107414492

IUPAC(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCC(CNC(=O)N[C@H](C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-3-4-9(5-7)6-12-11(16)13-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9?/m1/s1
InChIKeyNOYMNDZKOHPKHS-QJAFJHJLSA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid

(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (PubChem CID 107414492) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
PubChem CID107414492
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCC(CNC(=O)N[C@H](C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-3-4-9(5-7)6-12-11(16)13-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9?/m1/s1
InChIKeyNOYMNDZKOHPKHS-QJAFJHJLSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
(3-methylcyclopentyl)methylurea
CID 20542807
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 107414675
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (CID 107414492) is (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is CC1CCC(CNC(=O)N[C@H](C)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The InChIKey is NOYMNDZKOHPKHS-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-3-4-9(5-7)6-12-11(16)13-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 107414492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).