(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid

C11H13N5O3 — CID 28742442

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cn1
InChIInChI=1S/C11H13N5O3/c1-16-5-7(3-14-16)10(17)15-9(11(18)19)2-8-4-12-6-13-8/h3-6,9H,2H2,1H3,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyKWUSMJUTBMEOFI-SECBINFHSA-N
MW263.26 g/mol
LogP-0.43
Rot. Bonds5

About (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 28742442) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID28742442
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cn1
InChIInChI=1S/C11H13N5O3/c1-16-5-7(3-14-16)10(17)15-9(11(18)19)2-8-4-12-6-13-8/h3-6,9H,2H2,1H3,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyKWUSMJUTBMEOFI-SECBINFHSA-N
XLogP-0.43
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
CID 30051636
2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16771532
(2R)-2-[(3,5-dibromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107971712
(2S)-3-(1H-imidazol-5-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 697445
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 28741067
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
[4-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]phenyl]-methylidyneazanium
CID 176831239
3-(1H-imidazol-5-yl)-2-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 107864154
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
(2R)-2-[(3-bromo-4-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894327

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 28742442) is (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid is Cn1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cn1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is KWUSMJUTBMEOFI-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-16-5-7(3-14-16)10(17)15-9(11(18)19)2-8-4-12-6-13-8/h3-6,9H,2H2,1H3,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28742442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).