(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid

C15H28N2O4 — CID 97234402

IUPAC(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)NC[C@H](C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-9-17(10-5-2)14(19)8-6-7-13(18)16-11-12(3)15(20)21/h12H,4-11H2,1-3H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyMXGPNAFWJWOCOX-LBPRGKRZSA-N
MW300.40 g/mol
LogP1.64
Rot. Bonds11

About (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid

(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid (PubChem CID 97234402) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
PubChem CID97234402
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)NC[C@H](C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-9-17(10-5-2)14(19)8-6-7-13(18)16-11-12(3)15(20)21/h12H,4-11H2,1-3H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyMXGPNAFWJWOCOX-LBPRGKRZSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119382280
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
4-amino-N,N-dipropylbutanamide
CID 12835718
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid (CID 97234402) is (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid is CCCN(CCC)C(=O)CCCC(=O)NC[C@H](C)C(=O)O.
What is the InChIKey of (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid?
The InChIKey is MXGPNAFWJWOCOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-9-17(10-5-2)14(19)8-6-7-13(18)16-11-12(3)15(20)21/h12H,4-11H2,1-3H3,(H,16,18)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid?
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 97234402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).