(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

C10H16N4O4 — CID 103009431

IUPAC(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCn1nccc1CCNC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-14-7(3-5-12-14)2-4-11-10(18)13-8(6-15)9(16)17/h3,5,8,15H,2,4,6H2,1H3,(H,16,17)(H2,11,13,18)/t8-/m0/s1
InChIKeyLNIFSYQZGINXMR-QMMMGPOBSA-N
MW256.26 g/mol
LogP-1.29
Rot. Bonds6

About (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 103009431) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
PubChem CID103009431
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCn1nccc1CCNC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-14-7(3-5-12-14)2-4-11-10(18)13-8(6-15)9(16)17/h3,5,8,15H,2,4,6H2,1H3,(H,16,17)(H2,11,13,18)/t8-/m0/s1
InChIKeyLNIFSYQZGINXMR-QMMMGPOBSA-N
XLogP-1.29
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
(2S)-3-hydroxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 63330039
3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
(2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 61381103
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (CID 103009431) is (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid is Cn1nccc1CCNC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is LNIFSYQZGINXMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-14-7(3-5-12-14)2-4-11-10(18)13-8(6-15)9(16)17/h3,5,8,15H,2,4,6H2,1H3,(H,16,17)(H2,11,13,18)/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 103009431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).