(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

C11H18N4O3 — CID 95395819

IUPAC(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCc1ccnn1C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)14-11(18)12-7-8-5-6-13-15(8)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H2,12,14,18)/t9-/m0/s1
InChIKeyVDZNXHNPEUGUDE-VIFPVBQESA-N
MW254.29 g/mol
LogP0.47
Rot. Bonds6

About (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 95395819) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
PubChem CID95395819
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCc1ccnn1C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)14-11(18)12-7-8-5-6-13-15(8)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H2,12,14,18)/t9-/m0/s1
InChIKeyVDZNXHNPEUGUDE-VIFPVBQESA-N
XLogP0.47
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 94351540
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (CID 95395819) is (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCc1ccnn1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is VDZNXHNPEUGUDE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)14-11(18)12-7-8-5-6-13-15(8)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H2,12,14,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 95395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).