(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

C10H18N2O4 — CID 80756889

IUPAC(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(CC1CCC1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-12(5-7-3-2-4-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyCXXVQSUBONBHBX-MRVPVSSYSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds5

About (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80756889) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80756889
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(CC1CCC1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-12(5-7-3-2-4-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyCXXVQSUBONBHBX-MRVPVSSYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2S)-4-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717742
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80756889) is (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is CN(CC1CCC1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is CXXVQSUBONBHBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(5-7-3-2-4-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80756889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).