(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid

C19H22N2O3 — CID 67573864

IUPAC(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c20-18(22)12-11-17(19(23)24)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,20,22)(H,23,24)/t17-/m0/s1
InChIKeyCAMDJPNFZXSNEG-KRWDZBQOSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds9

About (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid (PubChem CID 67573864) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
PubChem CID67573864
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c20-18(22)12-11-17(19(23)24)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,20,22)(H,23,24)/t17-/m0/s1
InChIKeyCAMDJPNFZXSNEG-KRWDZBQOSA-N
XLogP2.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 174607975
(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid
CID 174960116
(2S)-5-amino-2-[benzyl-[4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoyl]amino]-5-oxopentanoic acid
CID 68703676
(2S)-5-amino-2-[benzyl-[4-(3-oxo-3-phenylprop-1-enyl)benzoyl]amino]-5-oxopentanoic acid
CID 91104183
(2S)-5-amino-5-oxo-2-[N-(sulfomethyl)anilino]pentanoic acid
CID 150317196
2-[[[(1S)-4-amino-1-carboxy-4-oxobutyl]-phenylmethoxycarbonylamino]methyl]benzoic acid
CID 70041413
N',N'-dibenzylbutanediamide
CID 101024490
carbonic acid;3-phenylpropanamide
CID 174965682
2-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-benzylcarbamoyl]-6-nitrobenzoic acid
CID 150657430
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid (CID 67573864) is (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid is NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid?
The InChIKey is CAMDJPNFZXSNEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-18(22)12-11-17(19(23)24)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,20,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid is sourced from PubChem (CID 67573864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).