(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid

C12H23N3O4 — CID 79010409

IUPAC(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H23N3O4/c1-4-5-6-15(7-9(13)16)12(19)14-10(8(2)3)11(17)18/h8,10H,4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyMSWODQPKWGGFKA-SNVBAGLBSA-N
MW273.33 g/mol
LogP0.39
Rot. Bonds8

About (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid

(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid (PubChem CID 79010409) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
PubChem CID79010409
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H23N3O4/c1-4-5-6-15(7-9(13)16)12(19)14-10(8(2)3)11(17)18/h8,10H,4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyMSWODQPKWGGFKA-SNVBAGLBSA-N
XLogP0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
(2S)-2-(dibutylcarbamoylamino)-3-methylpentanoic acid
CID 61185893
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid (CID 79010409) is (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid is CCCCN(CC(N)=O)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is MSWODQPKWGGFKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-5-6-15(7-9(13)16)12(19)14-10(8(2)3)11(17)18/h8,10H,4-7H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).