1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C16H29N3O2 — CID 65290967

IUPAC1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(N)CCCC(C)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-11(5-3-6-12(2)17)16(21)19-10-4-7-14(19)15(20)18-13-8-9-13/h11-14H,3-10,17H2,1-2H3,(H,18,20)
InChIKeyAKMFVMZUSVNVSI-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.41
Rot. Bonds7

About 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 65290967) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID65290967
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(N)CCCC(C)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-11(5-3-6-12(2)17)16(21)19-10-4-7-14(19)15(20)18-13-8-9-13/h11-14H,3-10,17H2,1-2H3,(H,18,20)
InChIKeyAKMFVMZUSVNVSI-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202503
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
1-[2-(azetidin-3-yl)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676326
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 65290967) is 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is CC(N)CCCC(C)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is AKMFVMZUSVNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(5-3-6-12(2)17)16(21)19-10-4-7-14(19)15(20)18-13-8-9-13/h11-14H,3-10,17H2,1-2H3,(H,18,20).
What are the key properties of 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 65290967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).