(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid

C11H20N2O3 — CID 78972171

IUPAC(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-/m1/s1
InChIKeyKSKNGBBOIPXJRY-MRVPVSSYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds3

About (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid

(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 78972171) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID78972171
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-/m1/s1
InChIKeyKSKNGBBOIPXJRY-MRVPVSSYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
CID 155904090
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62669199
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid (CID 78972171) is (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid is C[C@@H](NC(=O)N(C)C1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is KSKNGBBOIPXJRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).