(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide

C13H27N3O3 — CID 174538703

IUPAC(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O.C3H7NO2/c1-4-12(9(2)3)10(13)11-7-5-6-8-11;1-2(4)3(5)6/h9H,4-8H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyYHRMSPYAZFUMSK-WNQIDUERSA-N
MW273.38 g/mol
LogP1.35
Rot. Bonds3

About (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide

(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 174538703) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID174538703
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O.C3H7NO2/c1-4-12(9(2)3)10(13)11-7-5-6-8-11;1-2(4)3(5)6/h9H,4-8H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyYHRMSPYAZFUMSK-WNQIDUERSA-N
XLogP1.35
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 174553073
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 174538703) is (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide is CCN(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is YHRMSPYAZFUMSK-WNQIDUERSA-N. The full InChI is InChI=1S/C10H20N2O.C3H7NO2/c1-4-12(9(2)3)10(13)11-7-5-6-8-11;1-2(4)3(5)6/h9H,4-8H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.35, 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-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 174538703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).