4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid

C13H24N2O3 — CID 65459094

IUPAC4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)C1(N)CC1)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-10(4-5-11(16)17)6-9-15-12(18)13(14)7-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeySKTUCEQRPUBPLV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds9

About 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid

4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid (PubChem CID 65459094) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
PubChem CID65459094
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)C1(N)CC1)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-10(4-5-11(16)17)6-9-15-12(18)13(14)7-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeySKTUCEQRPUBPLV-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 113303947
4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
CID 114411541
4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
CID 102656230
4-[2-(hexa-2,4-dienoylamino)ethyl]heptanoic acid
CID 77033084
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid (CID 65459094) is 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid is CCCC(CCNC(=O)C1(N)CC1)CCC(=O)O.
What is the InChIKey of 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid?
The InChIKey is SKTUCEQRPUBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-10(4-5-11(16)17)6-9-15-12(18)13(14)7-8-13/h10H,2-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid?
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid is sourced from PubChem (CID 65459094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).