(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid

C14H27N3O3 — CID 23384607

IUPAC(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid
SMILESCCC(CC)C[C@H](NC(C)=O)[C@H]1N[C@@H](C(=O)O)C[C@H]1N
InChIInChI=1S/C14H27N3O3/c1-4-9(5-2)6-11(16-8(3)18)13-10(15)7-12(17-13)14(19)20/h9-13,17H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t10-,11+,12-,13+/m1/s1
InChIKeyKACTVXHIYRZOGI-XQHKEYJVSA-N
MW285.39 g/mol
LogP0.46
Rot. Bonds7

About (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid

(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid (PubChem CID 23384607) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid
PubChem CID23384607
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid
SMILESCCC(CC)C[C@H](NC(C)=O)[C@H]1N[C@@H](C(=O)O)C[C@H]1N
InChIInChI=1S/C14H27N3O3/c1-4-9(5-2)6-11(16-8(3)18)13-10(15)7-12(17-13)14(19)20/h9-13,17H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t10-,11+,12-,13+/m1/s1
InChIKeyKACTVXHIYRZOGI-XQHKEYJVSA-N
XLogP0.46
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid
CID 23384579
(2S)-4-acetamido-5-(1-acetamido-3-ethylpentyl)pyrrolidine-2-carboxylic acid
CID 70008881
(2S)-5-(1-acetamido-3-methylbutyl)-4-ethenylpyrrolidine-2-carboxylic acid
CID 70011890
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1H-imidazol-5-yl)pyrrolidine-2-carboxylic acid
CID 5329291
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1H-imidazol-5-yl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 11290895
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 11211209
4-amino-5-methylpyrrolidine-2-carboxylic acid
CID 55289228
3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 70030931
(2S,4R,5S)-5-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 101179997
(1R,3R,4R)-3-[(1S)-1-acetamidopentyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 15956568
(2R,4R,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-1-benzyl-4-(dimethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23384403
N-(1-cyclobutylpropyl)acetamide
CID 127002620

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid (CID 23384607) is (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid is CCC(CC)C[C@H](NC(C)=O)[C@H]1N[C@@H](C(=O)O)C[C@H]1N.
What is the InChIKey of (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid?
The InChIKey is KACTVXHIYRZOGI-XQHKEYJVSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-9(5-2)6-11(16-8(3)18)13-10(15)7-12(17-13)14(19)20/h9-13,17H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid?
(2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-aminopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23384607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).