(2S)-2-(dipropylcarbamoylamino)hexanoic acid

C13H26N2O3 — CID 107145276

IUPAC(2S)-2-(dipropylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CCC)CCC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-8-11(12(16)17)14-13(18)15(9-5-2)10-6-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)/t11-/m0/s1
InChIKeyFFMVOUYGUNFYMZ-NSHDSACASA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds9

About (2S)-2-(dipropylcarbamoylamino)hexanoic acid

(2S)-2-(dipropylcarbamoylamino)hexanoic acid (PubChem CID 107145276) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-(dipropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(dipropylcarbamoylamino)hexanoic acid
PubChem CID107145276
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-(dipropylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CCC)CCC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-8-11(12(16)17)14-13(18)15(9-5-2)10-6-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)/t11-/m0/s1
InChIKeyFFMVOUYGUNFYMZ-NSHDSACASA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464
(2S)-2-[[ethyl(propyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61195653
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dipropylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(dipropylcarbamoylamino)hexanoic acid (CID 107145276) is (2S)-2-(dipropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(dipropylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(dipropylcarbamoylamino)hexanoic acid is CCCC[C@H](NC(=O)N(CCC)CCC)C(=O)O.
What is the InChIKey of (2S)-2-(dipropylcarbamoylamino)hexanoic acid?
The InChIKey is FFMVOUYGUNFYMZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-7-8-11(12(16)17)14-13(18)15(9-5-2)10-6-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-(dipropylcarbamoylamino)hexanoic acid?
(2S)-2-(dipropylcarbamoylamino)hexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dipropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 107145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).