(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid

C11H20N2O4 — CID 107826087

IUPAC(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCN(C(=O)N[C@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-2-6-13(8-3-4-8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyMAZVLGMLPZGFML-SECBINFHSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds7

About (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107826087) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107826087
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCN(C(=O)N[C@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-2-6-13(8-3-4-8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyMAZVLGMLPZGFML-SECBINFHSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
(2R)-2-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107828390
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 107826087) is (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid is CCCN(C(=O)N[C@H](CCO)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is MAZVLGMLPZGFML-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-6-13(8-3-4-8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107826087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).