4-(hexan-3-ylamino)-4-oxobutanoic acid

C10H19NO3 — CID 62118536

IUPAC4-(hexan-3-ylamino)-4-oxobutanoic acid
SMILESCCCC(CC)NC(=O)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-8(4-2)11-9(12)6-7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMBIMIAVNHTXQHS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.55
Rot. Bonds7

About 4-(hexan-3-ylamino)-4-oxobutanoic acid

4-(hexan-3-ylamino)-4-oxobutanoic acid (PubChem CID 62118536) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(hexan-3-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(hexan-3-ylamino)-4-oxobutanoic acid
PubChem CID62118536
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(hexan-3-ylamino)-4-oxobutanoic acid
SMILESCCCC(CC)NC(=O)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-8(4-2)11-9(12)6-7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMBIMIAVNHTXQHS-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-hexan-3-ylpropanamide
CID 62836879
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
N'-octan-3-ylbutanediamide
CID 82041118
hexan-3-ylurea;molecular hydrogen
CID 143768672
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-octan-4-ylpentanamide
CID 91803774
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
N-pentan-3-yldocosanamide
CID 123339332
3-(3-cyclopropylpropanoylamino)hexanoic acid
CID 115910353
2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-3-ylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(hexan-3-ylamino)-4-oxobutanoic acid (CID 62118536) is 4-(hexan-3-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(hexan-3-ylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(hexan-3-ylamino)-4-oxobutanoic acid is CCCC(CC)NC(=O)CCC(=O)O.
What is the InChIKey of 4-(hexan-3-ylamino)-4-oxobutanoic acid?
The InChIKey is MBIMIAVNHTXQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-8(4-2)11-9(12)6-7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-(hexan-3-ylamino)-4-oxobutanoic acid?
4-(hexan-3-ylamino)-4-oxobutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-3-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 62118536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).