(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid

C18H26N2O5 — CID 54225127

IUPAC(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
SMILESCCCN(CCC)[C@@H](CC(NC(=O)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C18H26N2O5/c1-3-10-20(11-4-2)15(18(24)25)12-14(17(22)23)19-16(21)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)/t14?,15-/m0/s1
InChIKeyQFHWUCOKWIRJHY-LOACHALJSA-N
MW350.42 g/mol
LogP1.83
Rot. Bonds11

About (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid

(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid (PubChem CID 54225127) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid.

Molecular Properties

Compound Name(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
PubChem CID54225127
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
SMILESCCCN(CCC)[C@@H](CC(NC(=O)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C18H26N2O5/c1-3-10-20(11-4-2)15(18(24)25)12-14(17(22)23)19-16(21)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)/t14?,15-/m0/s1
InChIKeyQFHWUCOKWIRJHY-LOACHALJSA-N
XLogP1.83
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
2-benzamido-4-ethylsulfonylbutanoic acid
CID 108731663
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
(2S,4S)-2-benzamido-4-benzyl-5-methylhexanoic acid
CID 58019158
(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid
CID 66987066
ethyl 2-benzamido-4-methylpentanoate
CID 12773376

Frequently Asked Questions

What is the IUPAC name of (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid?
The IUPAC name of (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid (CID 54225127) is (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid.
What is the SMILES notation for (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid?
The canonical SMILES for (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid is CCCN(CCC)[C@@H](CC(NC(=O)c1ccccc1)C(=O)O)C(=O)O.
What is the InChIKey of (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid?
The InChIKey is QFHWUCOKWIRJHY-LOACHALJSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-10-20(11-4-2)15(18(24)25)12-14(17(22)23)19-16(21)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)/t14?,15-/m0/s1.
What are the key properties of (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid?
(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid has a molecular weight of 350.42 g/mol, XLogP of 1.83, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-benzamido-4-(dipropylamino)pentanedioic acid is sourced from PubChem (CID 54225127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).