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

C20H26N4O3 — CID 70177018

IUPAC(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
SMILESNCC(=O)N[C@H]1CN[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.1/s1
InChIKeyANEMXIKDOWNPHA-SJGICDGZSA-N
MW370.45 g/mol
LogP0.69
Rot. Bonds5

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

(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine (PubChem CID 70177018) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
PubChem CID70177018
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
SMILESNCC(=O)N[C@H]1CN[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.1/s1
InChIKeyANEMXIKDOWNPHA-SJGICDGZSA-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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Related Compounds

(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177013
(2S,4R)-4-[(2-aminoacetyl)amino]-N-(4-benzylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176445
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 21341688
4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398298
4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 22458586
(2S)-4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70172928
(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
CID 70177088
(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
2-amino-N-[(3S,5R)-5-[2-(4-benzylpiperazin-1-yl)-3-phenylpropanoyl]pyrrolidin-3-yl]acetamide
CID 151511352
4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 21341689
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341589

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The IUPAC name of (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine (CID 70177018) is (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine.
What is the SMILES notation for (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The canonical SMILES for (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine is NCC(=O)N[C@H]1CN[C@H](C(=O)O)C1.NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
The InChIKey is ANEMXIKDOWNPHA-SJGICDGZSA-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.1/s1.
What are the key properties of (2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine?
(2S,4R)-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,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine is sourced from PubChem (CID 70177018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).