(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid

C11H18N4O4 — CID 114256177

IUPAC(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cc(OC)n(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,18)/t7-/m0/s1
InChIKeyDSPQKMNUYGKCEE-ZETCQYMHSA-N
MW270.29 g/mol
LogP0.80
Rot. Bonds6

About (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid

(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (PubChem CID 114256177) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
PubChem CID114256177
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cc(OC)n(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,18)/t7-/m0/s1
InChIKeyDSPQKMNUYGKCEE-ZETCQYMHSA-N
XLogP0.80
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid
CID 114256171
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]pentanoic acid
CID 107629256
2-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108813299
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
CID 114255933
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 94351540
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 107576251
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (CID 114256177) is (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)Nc1cc(OC)n(C)n1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is DSPQKMNUYGKCEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 114256177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).