7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid

C15H28N2O4 — CID 61438953

IUPAC7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
SMILESCCN(CC1CCCO1)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-17(12-13-8-7-11-21-13)15(20)16-10-6-4-3-5-9-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyPJWIWOWCYCBGAM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.23
Rot. Bonds10

About 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid

7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid (PubChem CID 61438953) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
PubChem CID61438953
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
SMILESCCN(CC1CCCO1)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-17(12-13-8-7-11-21-13)15(20)16-10-6-4-3-5-9-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyPJWIWOWCYCBGAM-UHFFFAOYSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61438999

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid (CID 61438953) is 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid is CCN(CC1CCCO1)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid?
The InChIKey is PJWIWOWCYCBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-17(12-13-8-7-11-21-13)15(20)16-10-6-4-3-5-9-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid?
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 61438953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).