4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid

C10H17N3O4 — CID 61194306

IUPAC4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(C(=O)NC(CC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-2-13(6-3-4-6)10(17)12-7(9(15)16)5-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyBVJVGHKDRPXLHI-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.49
Rot. Bonds6

About 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid

4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 61194306) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID61194306
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(C(=O)NC(CC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-2-13(6-3-4-6)10(17)12-7(9(15)16)5-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyBVJVGHKDRPXLHI-UHFFFAOYSA-N
XLogP-0.49
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
(2S)-4-amino-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63718119
(2R)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005659
(2S)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63955055
(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827056
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 61194306) is 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid is CCN(C(=O)NC(CC(N)=O)C(=O)O)C1CC1.
What is the InChIKey of 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is BVJVGHKDRPXLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-13(6-3-4-6)10(17)12-7(9(15)16)5-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 61194306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).