5-(pentan-2-ylcarbamoylamino)hexanoic acid

C12H24N2O3 — CID 82845875

IUPAC5-(pentan-2-ylcarbamoylamino)hexanoic acid
SMILESCCCC(C)NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-9(2)13-12(17)14-10(3)7-5-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCKBUIXNAVXQJOS-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.12
Rot. Bonds8

About 5-(pentan-2-ylcarbamoylamino)hexanoic acid

5-(pentan-2-ylcarbamoylamino)hexanoic acid (PubChem CID 82845875) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-(pentan-2-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(pentan-2-ylcarbamoylamino)hexanoic acid
PubChem CID82845875
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-(pentan-2-ylcarbamoylamino)hexanoic acid
SMILESCCCC(C)NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-9(2)13-12(17)14-10(3)7-5-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCKBUIXNAVXQJOS-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
5-(3-ethylpentan-2-ylcarbamoylamino)hexanoic acid
CID 82848350
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
5-(propan-2-ylamino)hexanoic acid
CID 82848277

Frequently Asked Questions

What is the IUPAC name of 5-(pentan-2-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(pentan-2-ylcarbamoylamino)hexanoic acid (CID 82845875) is 5-(pentan-2-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(pentan-2-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(pentan-2-ylcarbamoylamino)hexanoic acid is CCCC(C)NC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-(pentan-2-ylcarbamoylamino)hexanoic acid?
The InChIKey is CKBUIXNAVXQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-9(2)13-12(17)14-10(3)7-5-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(pentan-2-ylcarbamoylamino)hexanoic acid?
5-(pentan-2-ylcarbamoylamino)hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentan-2-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82845875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).