6-amino-4-carbamoylhexanoic acid

C7H14N2O3 — CID 87906467

IUPAC6-amino-4-carbamoylhexanoic acid
SMILESNCCC(CCC(=O)O)C(N)=O
InChIInChI=1S/C7H14N2O3/c8-4-3-5(7(9)12)1-2-6(10)11/h5H,1-4,8H2,(H2,9,12)(H,10,11)
InChIKeyPOFDOWAMBJYFQT-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.70
Rot. Bonds6

About 6-amino-4-carbamoylhexanoic acid

6-amino-4-carbamoylhexanoic acid (PubChem CID 87906467) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-amino-4-carbamoylhexanoic acid.

Molecular Properties

Compound Name6-amino-4-carbamoylhexanoic acid
PubChem CID87906467
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name6-amino-4-carbamoylhexanoic acid
SMILESNCCC(CCC(=O)O)C(N)=O
InChIInChI=1S/C7H14N2O3/c8-4-3-5(7(9)12)1-2-6(10)11/h5H,1-4,8H2,(H2,9,12)(H,10,11)
InChIKeyPOFDOWAMBJYFQT-UHFFFAOYSA-N
XLogP-0.70
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-carbamoylheptanoic acid
CID 171618269
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
2-(3-aminopropyl)hexanediamide
CID 174684338
3-(2-aminoethyl)hexanedioic acid
CID 141064631
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-carbamoyl-6-(ethylideneamino)-6-oxohexanoic acid
CID 57074963
12-carbamoyltricosanoic acid
CID 118615002
7-carbamoylpentadecanoic acid
CID 140987363
5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
CID 57078512
2-(2-hydroxyethyl)pentanediamide
CID 23104502

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-carbamoylhexanoic acid?
The IUPAC name of 6-amino-4-carbamoylhexanoic acid (CID 87906467) is 6-amino-4-carbamoylhexanoic acid.
What is the SMILES notation for 6-amino-4-carbamoylhexanoic acid?
The canonical SMILES for 6-amino-4-carbamoylhexanoic acid is NCCC(CCC(=O)O)C(N)=O.
What is the InChIKey of 6-amino-4-carbamoylhexanoic acid?
The InChIKey is POFDOWAMBJYFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-4-3-5(7(9)12)1-2-6(10)11/h5H,1-4,8H2,(H2,9,12)(H,10,11).
What are the key properties of 6-amino-4-carbamoylhexanoic acid?
6-amino-4-carbamoylhexanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-carbamoylhexanoic acid is sourced from PubChem (CID 87906467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).