3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid

C11H20N2O4 — CID 63859003

IUPAC3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)N(C)CC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6-4-8(6)5-13(3)11(17)12-9(7(2)14)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyLOWPTMABCDSMSB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.12
Rot. Bonds5

About 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid

3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 63859003) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
PubChem CID63859003
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)N(C)CC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6-4-8(6)5-13(3)11(17)12-9(7(2)14)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyLOWPTMABCDSMSB-UHFFFAOYSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
CID 63859361
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 63859352
(2S,3R)-3-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 104966438
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61184178
(2R)-3-(1H-imidazol-5-yl)-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 104895210
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63864984
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid (CID 63859003) is 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid is CC(O)C(NC(=O)N(C)CC1CC1C)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is LOWPTMABCDSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6-4-8(6)5-13(3)11(17)12-9(7(2)14)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid?
3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 63859003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).