(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine

C20H26N4O3 — CID 70177013

IUPAC(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
SMILESNCC(=O)NC1CN[C@H](C(=O)O)C1.NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C7H13N3O3/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-2-6(11)10-4-1-5(7(12)13)9-3-4/h1-9H,10,14H2;4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t;4?,5-/m.0/s1
InChIKeyANEMXIKDOWNPHA-IMPWDBNVSA-N
MW370.45 g/mol
LogP0.69
Rot. Bonds5

About (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine

(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine (PubChem CID 70177013) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
PubChem CID70177013
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
SMILESNCC(=O)NC1CN[C@H](C(=O)O)C1.NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C7H13N3O3/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-2-6(11)10-4-1-5(7(12)13)9-3-4/h1-9H,10,14H2;4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t;4?,5-/m.0/s1
InChIKeyANEMXIKDOWNPHA-IMPWDBNVSA-N
XLogP0.69
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The IUPAC name of (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine (CID 70177013) is (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine.
What is the SMILES notation for (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The canonical SMILES for (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine is NCC(=O)NC1CN[C@H](C(=O)O)C1.NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The InChIKey is ANEMXIKDOWNPHA-IMPWDBNVSA-N. The full InChI is InChI=1S/C13H13N.C7H13N3O3/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-2-6(11)10-4-1-5(7(12)13)9-3-4/h1-9H,10,14H2;4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t;4?,5-/m.0/s1.
What are the key properties of (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine has a molecular weight of 370.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine is sourced from PubChem (CID 70177013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).