1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide

C17H19N5O4 — CID 77277633

IUPAC1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1CC(NC(=O)c2ccccc2)CC1C(=O)Nc1cnoc1
InChIInChI=1S/C17H19N5O4/c18-7-15(23)22-9-12(20-16(24)11-4-2-1-3-5-11)6-14(22)17(25)21-13-8-19-26-10-13/h1-5,8,10,12,14H,6-7,9,18H2,(H,20,24)(H,21,25)
InChIKeyYDGJRCHTHQYLQD-UHFFFAOYSA-N
MW357.37 g/mol
LogP-0.03
Rot. Bonds5

About 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide

1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 77277633) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID77277633
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1CC(NC(=O)c2ccccc2)CC1C(=O)Nc1cnoc1
InChIInChI=1S/C17H19N5O4/c18-7-15(23)22-9-12(20-16(24)11-4-2-1-3-5-11)6-14(22)17(25)21-13-8-19-26-10-13/h1-5,8,10,12,14H,6-7,9,18H2,(H,20,24)(H,21,25)
InChIKeyYDGJRCHTHQYLQD-UHFFFAOYSA-N
XLogP-0.03
TPSA130.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67394023
N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
CID 67393372
(2S,4R)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 16738245
(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
CID 67392649
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102449185
4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69260699
methyl 4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate;hydrochloride
CID 68515378
(2S,4R)-4-benzamido-1-[3-[[3-[(2S,4R)-4-benzamido-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18596069

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide (CID 77277633) is 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide is NCC(=O)N1CC(NC(=O)c2ccccc2)CC1C(=O)Nc1cnoc1.
What is the InChIKey of 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YDGJRCHTHQYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c18-7-15(23)22-9-12(20-16(24)11-4-2-1-3-5-11)6-14(22)17(25)21-13-8-19-26-10-13/h1-5,8,10,12,14H,6-7,9,18H2,(H,20,24)(H,21,25).
What are the key properties of 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 77277633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).