(4R)-4-carbamoylheptanoic acid

C8H15NO3 — CID 171618269

IUPAC(4R)-4-carbamoylheptanoic acid
SMILESCCC[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15NO3/c1-2-3-6(8(9)12)4-5-7(10)11/h6H,2-5H2,1H3,(H2,9,12)(H,10,11)/t6-/m1/s1
InChIKeyQIIPBBIAOXHSKC-ZCFIWIBFSA-N
MW173.21 g/mol
LogP0.75
Rot. Bonds6

About (4R)-4-carbamoylheptanoic acid

(4R)-4-carbamoylheptanoic acid (PubChem CID 171618269) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4R)-4-carbamoylheptanoic acid.

Molecular Properties

Compound Name(4R)-4-carbamoylheptanoic acid
PubChem CID171618269
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4R)-4-carbamoylheptanoic acid
SMILESCCC[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15NO3/c1-2-3-6(8(9)12)4-5-7(10)11/h6H,2-5H2,1H3,(H2,9,12)(H,10,11)/t6-/m1/s1
InChIKeyQIIPBBIAOXHSKC-ZCFIWIBFSA-N
XLogP0.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-4-carbamoylhexanoic acid
CID 87906467
2-propylhexanamide
CID 19818979
sodium 5-hydroxy-5-oxo-2-propylpentanoate
CID 159698974
12-carbamoyltricosanoic acid
CID 118615002
7-carbamoylpentadecanoic acid
CID 140987363
5-hydroxy-2-propylpentanamide
CID 21402979
2-propylhexadecanediamide
CID 142717306
2-ethylpentanamide;hydrochloride
CID 121334657
ethane;2-ethylpentanamide
CID 178117178
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
6-amino-2-propylhexanamide
CID 57133562
dodecane-2,4,6,8-tetracarboxamide
CID 89075509

Frequently Asked Questions

What is the IUPAC name of (4R)-4-carbamoylheptanoic acid?
The IUPAC name of (4R)-4-carbamoylheptanoic acid (CID 171618269) is (4R)-4-carbamoylheptanoic acid.
What is the SMILES notation for (4R)-4-carbamoylheptanoic acid?
The canonical SMILES for (4R)-4-carbamoylheptanoic acid is CCC[C@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-4-carbamoylheptanoic acid?
The InChIKey is QIIPBBIAOXHSKC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-6(8(9)12)4-5-7(10)11/h6H,2-5H2,1H3,(H2,9,12)(H,10,11)/t6-/m1/s1.
What are the key properties of (4R)-4-carbamoylheptanoic acid?
(4R)-4-carbamoylheptanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-carbamoylheptanoic acid is sourced from PubChem (CID 171618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).