2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

C11H18N4O3 — CID 61480594

IUPAC2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H18N4O3/c1-3-15(7-10(16)17)11(18)13-9(2)6-14-5-4-12-8-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeySHKZSMYEUBJJDC-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.39
Rot. Bonds6

About 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61480594) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID61480594
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H18N4O3/c1-3-15(7-10(16)17)11(18)13-9(2)6-14-5-4-12-8-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeySHKZSMYEUBJJDC-UHFFFAOYSA-N
XLogP0.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
CID 95572632
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94122786
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 61480594) is 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is SHKZSMYEUBJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-15(7-10(16)17)11(18)13-9(2)6-14-5-4-12-8-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).