2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid

C10H19N3O4 — CID 106346590

IUPAC2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-4-13(5-7(14)15)10(17)12-8(6(2)3)9(11)16/h6,8H,4-5H2,1-3H3,(H2,11,16)(H,12,17)(H,14,15)
InChIKeyUPRXDSIAGYDEIC-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.39
Rot. Bonds6

About 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid

2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid (PubChem CID 106346590) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
PubChem CID106346590
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-4-13(5-7(14)15)10(17)12-8(6(2)3)9(11)16/h6,8H,4-5H2,1-3H3,(H2,11,16)(H,12,17)(H,14,15)
InChIKeyUPRXDSIAGYDEIC-UHFFFAOYSA-N
XLogP-0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
CID 104829180
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid?
The IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid (CID 106346590) is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid?
The InChIKey is UPRXDSIAGYDEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-13(5-7(14)15)10(17)12-8(6(2)3)9(11)16/h6,8H,4-5H2,1-3H3,(H2,11,16)(H,12,17)(H,14,15).
What are the key properties of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid?
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid is sourced from PubChem (CID 106346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).