(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide

C14H18N4O3 — CID 16735101

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C14H18N4O3/c15-7-12(19)18-8-10(6-11(18)13(16)20)17-14(21)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,20)(H,17,21)/t10-,11+/m1/s1
InChIKeyHTXAMMYKSMZQMY-MNOVXSKESA-N
MW290.32 g/mol
LogP-1.17
Rot. Bonds4

About (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide

(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide (PubChem CID 16735101) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
PubChem CID16735101
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C14H18N4O3/c15-7-12(19)18-8-10(6-11(18)13(16)20)17-14(21)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,20)(H,17,21)/t10-,11+/m1/s1
InChIKeyHTXAMMYKSMZQMY-MNOVXSKESA-N
XLogP-1.17
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 77277633
(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
N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
CID 67393372
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102449185
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
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69260699
4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide (CID 16735101) is (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide is NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide?
The InChIKey is HTXAMMYKSMZQMY-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N4O3/c15-7-12(19)18-8-10(6-11(18)13(16)20)17-14(21)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,20)(H,17,21)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide?
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide is sourced from PubChem (CID 16735101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).