(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid

C7H11N3O2 — CID 28600208

IUPAC(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc([C@H](N)CC(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-10-4-5(3-9-10)6(8)2-7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyUYCBHQKLCHFALG-ZCFIWIBFSA-N
MW169.18 g/mol
LogP-0.11
Rot. Bonds3

About (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid

(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid (PubChem CID 28600208) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
PubChem CID28600208
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc([C@H](N)CC(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-10-4-5(3-9-10)6(8)2-7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyUYCBHQKLCHFALG-ZCFIWIBFSA-N
XLogP-0.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 93471722
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CID 93094324
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-amino-3-(2-methyltriazol-4-yl)propanoic acid
CID 130613907

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid (CID 28600208) is (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid is Cn1cc([C@H](N)CC(=O)O)cn1.
What is the InChIKey of (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is UYCBHQKLCHFALG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-4-5(3-9-10)6(8)2-7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid?
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 28600208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).