(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide

C10H21N3O3 — CID 175256682

IUPAC(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O.C3H7NO2/c1-2-8-7(10)9-5-3-4-6-9;1-2(4)3(5)6/h2-6H2,1H3,(H,8,10);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyDVVUXDGPNDHMCO-WNQIDUERSA-N
MW231.30 g/mol
LogP0.23
Rot. Bonds2

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

(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide (PubChem CID 175256682) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
PubChem CID175256682
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O.C3H7NO2/c1-2-8-7(10)9-5-3-4-6-9;1-2(4)3(5)6/h2-6H2,1H3,(H,8,10);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyDVVUXDGPNDHMCO-WNQIDUERSA-N
XLogP0.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62669756
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CID 174538699
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(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
N-[3-(ethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116657786
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
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CID 9207783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide (CID 175256682) is (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide?
The InChIKey is DVVUXDGPNDHMCO-WNQIDUERSA-N. The full InChI is InChI=1S/C7H14N2O.C3H7NO2/c1-2-8-7(10)9-5-3-4-6-9;1-2(4)3(5)6/h2-6H2,1H3,(H,8,10);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide?
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 175256682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).