(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid

C15H23N5O2 — CID 91420692

IUPAC(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid
SMILESCc1n[nH]c(C)c1CN(Cc1c(C)n[nH]c1C)[C@@H](C)C(=O)O
InChIInChI=1S/C15H23N5O2/c1-8-13(9(2)17-16-8)6-20(12(5)15(21)22)7-14-10(3)18-19-11(14)4/h12H,6-7H2,1-5H3,(H,16,17)(H,18,19)(H,21,22)/t12-/m0/s1
InChIKeyYJDQRLYSNDAADF-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid

(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid (PubChem CID 91420692) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid
PubChem CID91420692
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid
SMILESCc1n[nH]c(C)c1CN(Cc1c(C)n[nH]c1C)[C@@H](C)C(=O)O
InChIInChI=1S/C15H23N5O2/c1-8-13(9(2)17-16-8)6-20(12(5)15(21)22)7-14-10(3)18-19-11(14)4/h12H,6-7H2,1-5H3,(H,16,17)(H,18,19)(H,21,22)/t12-/m0/s1
InChIKeyYJDQRLYSNDAADF-LBPRGKRZSA-N
XLogP1.84
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid (CID 91420692) is (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid is Cc1n[nH]c(C)c1CN(Cc1c(C)n[nH]c1C)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid?
The InChIKey is YJDQRLYSNDAADF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-8-13(9(2)17-16-8)6-20(12(5)15(21)22)7-14-10(3)18-19-11(14)4/h12H,6-7H2,1-5H3,(H,16,17)(H,18,19)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid?
(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid has a molecular weight of 305.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 91420692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).