3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid

C11H21N3O4 — CID 62670819

IUPAC3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)CN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)5-14(6-9(12)15)11(18)13-4-8(3)10(16)17/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyAYQVNIIIXWIWBT-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.14
Rot. Bonds7

About 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid

3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62670819) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62670819
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)CN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)5-14(6-9(12)15)11(18)13-4-8(3)10(16)17/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyAYQVNIIIXWIWBT-UHFFFAOYSA-N
XLogP-0.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
2-[[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]methyl]butanoic acid
CID 65222571
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 115585828
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55003903
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62670819) is 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid is CC(C)CN(CC(N)=O)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is AYQVNIIIXWIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(2)5-14(6-9(12)15)11(18)13-4-8(3)10(16)17/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62670819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).