(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C9H13N5O2 — CID 166466460

IUPAC(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESNC(=O)[C@@H](N)CC1Cn2nccc2NC1=O
InChIInChI=1S/C9H13N5O2/c10-6(8(11)15)3-5-4-14-7(1-2-12-14)13-9(5)16/h1-2,5-6H,3-4,10H2,(H2,11,15)(H,13,16)/t5?,6-/m0/s1
InChIKeyXRHNZPCXOIZIJX-GDVGLLTNSA-N
MW223.24 g/mol
LogP-1.35
Rot. Bonds3

About (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 166466460) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID166466460
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESNC(=O)[C@@H](N)CC1Cn2nccc2NC1=O
InChIInChI=1S/C9H13N5O2/c10-6(8(11)15)3-5-4-14-7(1-2-12-14)13-9(5)16/h1-2,5-6H,3-4,10H2,(H2,11,15)(H,13,16)/t5?,6-/m0/s1
InChIKeyXRHNZPCXOIZIJX-GDVGLLTNSA-N
XLogP-1.35
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
CID 166466453
(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride
CID 166466558
N-[(2S)-1-amino-1-oxo-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167424867
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
CID 174084477
CID 174084477
2-amino-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-7-yl)propanamide
CID 169193406
2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
CID 170168101
N-[1-cyano-2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-6-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6-azaspiro[2.5]octane-7-carboxamide
CID 170266521
2-amino-3-(6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-7-yl)propanamide
CID 170166121
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
CID 166893790
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 166466460) is (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is NC(=O)[C@@H](N)CC1Cn2nccc2NC1=O.
What is the InChIKey of (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is XRHNZPCXOIZIJX-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-6(8(11)15)3-5-4-14-7(1-2-12-14)13-9(5)16/h1-2,5-6H,3-4,10H2,(H2,11,15)(H,13,16)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 223.24 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 166466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).