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

C11H21N3O4 — CID 107825753

IUPAC(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCCCN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-5-6-14(4-2)11(18)13-8(10(16)17)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m1/s1
InChIKeyHKRADMJZLNVBSI-MRVPVSSYSA-N
MW259.31 g/mol
LogP0.15
Rot. Bonds8

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

(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 107825753) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID107825753
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCCCN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-5-6-14(4-2)11(18)13-8(10(16)17)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m1/s1
InChIKeyHKRADMJZLNVBSI-MRVPVSSYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093
(2R)-4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826113
4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61198911
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826733
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
(2R)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005659

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 107825753) is (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid is CCCCN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is HKRADMJZLNVBSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-5-6-14(4-2)11(18)13-8(10(16)17)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107825753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).