(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid

C22H27NO4 — CID 10339084

IUPAC(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
SMILESN[C@@H](C[C@H](CCCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C22H27NO4/c23-20(22(26)27)15-18(21(24)25)13-7-8-14-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18-20H,7-8,13-15,23H2,(H,24,25)(H,26,27)/t18-,20-/m0/s1
InChIKeyIRPMNASLBARATA-ICSRJNTNSA-N
MW369.46 g/mol
LogP3.88
Rot. Bonds11

About (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid

(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid (PubChem CID 10339084) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
PubChem CID10339084
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
SMILESN[C@@H](C[C@H](CCCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C22H27NO4/c23-20(22(26)27)15-18(21(24)25)13-7-8-14-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18-20H,7-8,13-15,23H2,(H,24,25)(H,26,27)/t18-,20-/m0/s1
InChIKeyIRPMNASLBARATA-ICSRJNTNSA-N
XLogP3.88
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-amino-4-(4,4-diphenylbutylidene)pentanedioic acid
CID 67611108
(4E)-2-amino-4-(4,4-diphenylbutylidene)pentanedioic acid
CID 19606598
2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252
2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
CID 71757982
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
(2R,4S)-2-amino-4-[(2-chlorophenyl)methyl]pentanedioic acid
CID 10880215
(2S)-2,6-diaminohexanoic acid;2-phenylpropanoic acid
CID 175701215
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid?
The IUPAC name of (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid (CID 10339084) is (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid?
The canonical SMILES for (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid is N[C@@H](C[C@H](CCCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid?
The InChIKey is IRPMNASLBARATA-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H27NO4/c23-20(22(26)27)15-18(21(24)25)13-7-8-14-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18-20H,7-8,13-15,23H2,(H,24,25)(H,26,27)/t18-,20-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid?
(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid has a molecular weight of 369.46 g/mol, XLogP of 3.88, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid is sourced from PubChem (CID 10339084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).