5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid

C12H24N2O3 — CID 82846309

IUPAC5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
SMILESCC(C)NCCC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)13-8-7-11(15)14-10(3)5-4-6-12(16)17/h9-10,13H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMJBHUUYIFDOCLQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds9

About 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid

5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid (PubChem CID 82846309) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
PubChem CID82846309
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
SMILESCC(C)NCCC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)13-8-7-11(15)14-10(3)5-4-6-12(16)17/h9-10,13H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMJBHUUYIFDOCLQ-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
5-(propan-2-ylamino)hexanoic acid
CID 82848277
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
(2S)-2-[4-(propan-2-ylamino)butanoylamino]pentanedioic acid
CID 61160968
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537

Frequently Asked Questions

What is the IUPAC name of 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid?
The IUPAC name of 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid (CID 82846309) is 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid.
What is the SMILES notation for 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid?
The canonical SMILES for 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid is CC(C)NCCC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid?
The InChIKey is MJBHUUYIFDOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)13-8-7-11(15)14-10(3)5-4-6-12(16)17/h9-10,13H,4-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid?
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid is sourced from PubChem (CID 82846309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).