(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

C10H18N4O — CID 82882870

IUPAC(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)9(11)10(15)12-6-8-4-5-14(3)13-8/h4-5,7,9H,6,11H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyRWPLUWMOKGTIOA-VIFPVBQESA-N
MW210.28 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 82882870) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID82882870
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)9(11)10(15)12-6-8-4-5-14(3)13-8/h4-5,7,9H,6,11H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyRWPLUWMOKGTIOA-VIFPVBQESA-N
XLogP0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82872970
1-[4-(1-aminoethyl)phenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
CID 82875331
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 82882870) is (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is CC(C)[C@H](N)C(=O)NCc1ccn(C)n1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is RWPLUWMOKGTIOA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9(11)10(15)12-6-8-4-5-14(3)13-8/h4-5,7,9H,6,11H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 82882870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).