(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid

C11H19N3O2 — CID 106702706

IUPAC(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
SMILESCCC(CC)n1ccc(C[C@H](N)C(=O)O)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(4-2)14-6-5-8(13-14)7-10(12)11(15)16/h5-6,9-10H,3-4,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyZCWVRJZOWALRIM-JTQLQIEISA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds6

About (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid

(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid (PubChem CID 106702706) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
PubChem CID106702706
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
SMILESCCC(CC)n1ccc(C[C@H](N)C(=O)O)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(4-2)14-6-5-8(13-14)7-10(12)11(15)16/h5-6,9-10H,3-4,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyZCWVRJZOWALRIM-JTQLQIEISA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
CID 19620649
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
CID 106487387
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid (CID 106702706) is (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid is CCC(CC)n1ccc(C[C@H](N)C(=O)O)n1.
What is the InChIKey of (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid?
The InChIKey is ZCWVRJZOWALRIM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(4-2)14-6-5-8(13-14)7-10(12)11(15)16/h5-6,9-10H,3-4,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 106702706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).