(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid

C16H32N2O3 — CID 58100811

IUPAC(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid
SMILESCCCC(=O)NCCCC[C@H](C(=O)O)N(CCC)CCC
InChIInChI=1S/C16H32N2O3/c1-4-9-15(19)17-11-8-7-10-14(16(20)21)18(12-5-2)13-6-3/h14H,4-13H2,1-3H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyFRQITLYQLVTIIS-CQSZACIVSA-N
MW300.44 g/mol
LogP2.65
Rot. Bonds13

About (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid

(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid (PubChem CID 58100811) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid
PubChem CID58100811
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid
SMILESCCCC(=O)NCCCC[C@H](C(=O)O)N(CCC)CCC
InChIInChI=1S/C16H32N2O3/c1-4-9-15(19)17-11-8-7-10-14(16(20)21)18(12-5-2)13-6-3/h14H,4-13H2,1-3H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyFRQITLYQLVTIIS-CQSZACIVSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(carboxymethyl)amino]-6-[[6-[[5-[bis(carboxymethyl)amino]-5-carboxypentyl]amino]-6-oxohexanoyl]amino]hexanoic acid
CID 102163683
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
2-[bis(carboxymethyl)amino]-6-[(2-hydroxyacetyl)amino]hexanoic acid
CID 176827256
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(4-acetamidobutyl)butanamide
CID 110417477
2,7-bis(diethylamino)octanedioic acid
CID 175151576
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide
CID 165399204
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid?
The IUPAC name of (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid (CID 58100811) is (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid.
What is the SMILES notation for (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid?
The canonical SMILES for (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid is CCCC(=O)NCCCC[C@H](C(=O)O)N(CCC)CCC.
What is the InChIKey of (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid?
The InChIKey is FRQITLYQLVTIIS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-9-15(19)17-11-8-7-10-14(16(20)21)18(12-5-2)13-6-3/h14H,4-13H2,1-3H3,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid?
(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.65, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid is sourced from PubChem (CID 58100811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).