(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid

C10H18N2O3 — CID 63141520

IUPAC(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N[C@@H](C)C(=O)O)CCNC1
InChIInChI=1S/C10H18N2O3/c1-3-10(4-5-11-6-10)9(15)12-7(2)8(13)14/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,10?/m0/s1
InChIKeyCJYGWJGGTLONTM-BYDSUWOYSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds4

About (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid

(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 63141520) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID63141520
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N[C@@H](C)C(=O)O)CCNC1
InChIInChI=1S/C10H18N2O3/c1-3-10(4-5-11-6-10)9(15)12-7(2)8(13)14/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,10?/m0/s1
InChIKeyCJYGWJGGTLONTM-BYDSUWOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
CID 63142451
N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 114113787
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 63141520) is (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid is CCC1(C(=O)N[C@@H](C)C(=O)O)CCNC1.
What is the InChIKey of (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is CJYGWJGGTLONTM-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-10(4-5-11-6-10)9(15)12-7(2)8(13)14/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,10?/m0/s1.
What are the key properties of (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63141520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).