2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

C10H13N3O3 — CID 16771913

IUPAC2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-9(6-1-2-6)13-8(10(15)16)3-7-4-11-5-12-7/h4-6,8H,1-3H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyPQDZRPXMRFUYMT-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 16771913) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID16771913
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-9(6-1-2-6)13-8(10(15)16)3-7-4-11-5-12-7/h4-6,8H,1-3H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyPQDZRPXMRFUYMT-UHFFFAOYSA-N
XLogP-0.07
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
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3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
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2-[(3-aminocyclohexanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 76985665
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 7039229
3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 114010399
3-(1H-imidazol-5-yl)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107864239
(2R)-3-(1H-imidazol-5-yl)-2-(thiane-2-carbonylamino)propanoic acid
CID 104894315
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 102094819

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid (CID 16771913) is 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid is O=C(NC(Cc1cnc[nH]1)C(=O)O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is PQDZRPXMRFUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(6-1-2-6)13-8(10(15)16)3-7-4-11-5-12-7/h4-6,8H,1-3H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 16771913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).