(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid

C11H17N5O4 — CID 107826844

IUPAC(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(Cn1ccnc1)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-7(5-16-3-2-13-6-16)14-11(20)15-8(10(18)19)4-9(12)17/h2-3,6-8H,4-5H2,1H3,(H2,12,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1
InChIKeyNCPSXWCVWRWQRY-BRFYHDHCSA-N
MW283.29 g/mol
LogP-1.10
Rot. Bonds7

About (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid

(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 107826844) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid
PubChem CID107826844
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(Cn1ccnc1)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-7(5-16-3-2-13-6-16)14-11(20)15-8(10(18)19)4-9(12)17/h2-3,6-8H,4-5H2,1H3,(H2,12,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1
InChIKeyNCPSXWCVWRWQRY-BRFYHDHCSA-N
XLogP-1.10
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61481106
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107827361

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid (CID 107826844) is (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid is CC(Cn1ccnc1)NC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is NCPSXWCVWRWQRY-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-7(5-16-3-2-13-6-16)14-11(20)15-8(10(18)19)4-9(12)17/h2-3,6-8H,4-5H2,1H3,(H2,12,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1.
What are the key properties of (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 283.29 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 107826844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).