5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

C14H25N3O4 — CID 61201089

IUPAC5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCCCCC1
InChIInChI=1S/C14H25N3O4/c1-17(10-6-4-2-3-5-7-10)14(21)16-11(13(19)20)8-9-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyVOZWMXMZGHERGV-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.07
Rot. Bonds6

About 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61201089) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61201089
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCCCCC1
InChIInChI=1S/C14H25N3O4/c1-17(10-6-4-2-3-5-7-10)14(21)16-11(13(19)20)8-9-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyVOZWMXMZGHERGV-UHFFFAOYSA-N
XLogP1.07
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2R)-5-amino-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830602
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61198358
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (CID 61201089) is 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is CN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCCCCC1.
What is the InChIKey of 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is VOZWMXMZGHERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-17(10-6-4-2-3-5-7-10)14(21)16-11(13(19)20)8-9-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61201089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).