(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride

C7H15ClN4O2 — CID 166466558

IUPAC(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride
SMILESCN1CC(C[C@H](N)C(N)=O)C(=O)N1.Cl
InChIInChI=1S/C7H14N4O2.ClH/c1-11-3-4(7(13)10-11)2-5(8)6(9)12;/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13);1H/t4?,5-;/m0./s1
InChIKeyAKTQAXLGKFAOBI-YKXIHYLHSA-N
MW222.68 g/mol
LogP-1.80
Rot. Bonds3

About (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride

(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride (PubChem CID 166466558) has the molecular formula C7H15ClN4O2 and a molecular weight of 222.68 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride
PubChem CID166466558
Molecular FormulaC7H15ClN4O2
Molecular Weight222.68 g/mol
Exact Mass222.09
IUPAC Name(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride
SMILESCN1CC(C[C@H](N)C(N)=O)C(=O)N1.Cl
InChIInChI=1S/C7H14N4O2.ClH/c1-11-3-4(7(13)10-11)2-5(8)6(9)12;/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13);1H/t4?,5-;/m0./s1
InChIKeyAKTQAXLGKFAOBI-YKXIHYLHSA-N
XLogP-1.80
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
CID 166466453
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 166466460
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
CID 174084477
CID 174084477
2-amino-3-(4-methylmorpholin-2-yl)propanamide
CID 79172417
5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione
CID 135127054
2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
CID 170168101
2-amino-3-cyclobutylpropanamide
CID 65458295
2-amino-3-(5-methyl-2-oxocyclohexyl)propanoic acid
CID 123873971
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride (CID 166466558) is (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride is CN1CC(C[C@H](N)C(N)=O)C(=O)N1.Cl.
What is the InChIKey of (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride?
The InChIKey is AKTQAXLGKFAOBI-YKXIHYLHSA-N. The full InChI is InChI=1S/C7H14N4O2.ClH/c1-11-3-4(7(13)10-11)2-5(8)6(9)12;/h4-5H,2-3,8H2,1H3,(H2,9,12)(H,10,13);1H/t4?,5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride?
(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 166466558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).