(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide

C12H25N3O3 — CID 174538699

IUPAC(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C9H18N2O.C3H7NO2/c1-3-10(4-2)9(12)11-7-5-6-8-11;1-2(4)3(5)6/h3-8H2,1-2H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyWWJWLIFOWYFNOH-WNQIDUERSA-N
MW259.35 g/mol
LogP0.96
Rot. Bonds3

About (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide

(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide (PubChem CID 174538699) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
PubChem CID174538699
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C9H18N2O.C3H7NO2/c1-3-10(4-2)9(12)11-7-5-6-8-11;1-2(4)3(5)6/h3-8H2,1-2H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyWWJWLIFOWYFNOH-WNQIDUERSA-N
XLogP0.96
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 174553073
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide (CID 174538699) is (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide is CCN(CC)C(=O)N1CCCC1.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide?
The InChIKey is WWJWLIFOWYFNOH-WNQIDUERSA-N. The full InChI is InChI=1S/C9H18N2O.C3H7NO2/c1-3-10(4-2)9(12)11-7-5-6-8-11;1-2(4)3(5)6/h3-8H2,1-2H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide?
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 174538699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).