1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid

C15H19N3O4 — CID 67392649

IUPAC1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1CC(NC(=O)Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19N3O4/c16-8-14(20)18-9-11(7-12(18)15(21)22)17-13(19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,19)(H,21,22)
InChIKeyPPHDSZVHEDKINH-UHFFFAOYSA-N
MW305.33 g/mol
LogP-0.64
Rot. Bonds5

About 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid

1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 67392649) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID67392649
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1CC(NC(=O)Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19N3O4/c16-8-14(20)18-9-11(7-12(18)15(21)22)17-13(19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,19)(H,21,22)
InChIKeyPPHDSZVHEDKINH-UHFFFAOYSA-N
XLogP-0.64
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
(2S,4R)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 16738245
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
(2S,4R)-1-[(2S,4S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carbonyl]-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
CID 70290974
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67394023
(2S,4S)-1-(2,2-diphenylacetyl)-4-(3,3-diphenylpropanoylamino)pyrrolidine-2-carboxylic acid
CID 146676243
N-cyclopropyl-2-phenylacetamide
CID 5175687
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
1-[2-[2-[2-carboxy-4-(furan-2-carbonylamino)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetyl]-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylic acid
CID 3749818
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102449185
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-propanoylpyrrolidine-2-carboxylic acid
CID 67596403

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid (CID 67392649) is 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid is NCC(=O)N1CC(NC(=O)Cc2ccccc2)CC1C(=O)O.
What is the InChIKey of 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is PPHDSZVHEDKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-8-14(20)18-9-11(7-12(18)15(21)22)17-13(19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,19)(H,21,22).
What are the key properties of 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid?
1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67392649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).