6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid

C10H15NO5 — CID 5384149

IUPAC6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H15NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h5-6H,1-4,7H2,(H,11,12)(H,13,14)(H,15,16)/b6-5-
InChIKeyOHQFLBMAHZJOJA-WAYWQWQTSA-N
MW229.23 g/mol
LogP0.39
Rot. Bonds8

About 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid

6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid (PubChem CID 5384149) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid
PubChem CID5384149
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H15NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h5-6H,1-4,7H2,(H,11,12)(H,13,14)(H,15,16)/b6-5-
InChIKeyOHQFLBMAHZJOJA-WAYWQWQTSA-N
XLogP0.39
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Acrylamidohexanoic Acid
CID 324200
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
6-Methylacrylamidohexanoic acid
CID 54131804
N-(5-Carboxypentyl)maleamic acid
CID 329056
6-Maleamidocaproic acid; N-(5-Carboxy-n-pentyl)maleamic acid
CID 5912867
9-[[(Z)-3-carboxyprop-2-enoyl]amino]nonanoic acid
CID 10564033
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
CID 10776610
N-(10-Carboxydecanyl)maleamideic Acid
CID 10851695
(2Z)-4-[(3-Carboxypropyl)amino]-4-oxo-2-butenoic acid
CID 11008966
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;prop-2-enoic acid
CID 17857430
(E)-4-[2-[butyl(6-hydroxyhexanoyl)amino]ethylamino]-4-oxobut-2-enoic acid
CID 18730702
(E)-4-[6-(butylamino)-6-oxohexoxy]-4-oxobut-2-enoic acid
CID 18730722

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid?
The IUPAC name of 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid (CID 5384149) is 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid is O=C(O)/C=C\C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid?
The InChIKey is OHQFLBMAHZJOJA-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h5-6H,1-4,7H2,(H,11,12)(H,13,14)(H,15,16)/b6-5-.
What are the key properties of 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid?
6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid has a molecular weight of 229.23 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexanoic acid is sourced from PubChem (CID 5384149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).