2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid

C13H22N2O4 — CID 107405749

IUPAC2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
SMILESCC1(O)CCCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(19)5-2-7-15(8-6-13)12(18)14-10(11(16)17)9-3-4-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWNRGNVCTKHJTNU-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.80
Rot. Bonds3

About 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid (PubChem CID 107405749) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
PubChem CID107405749
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
SMILESCC1(O)CCCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(19)5-2-7-15(8-6-13)12(18)14-10(11(16)17)9-3-4-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWNRGNVCTKHJTNU-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 81108488
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
2-cyclopropyl-2-[(4-methylsulfanylazepane-1-carbonyl)amino]acetic acid
CID 114237984
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 62710695
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid (CID 107405749) is 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid is CC1(O)CCCN(C(=O)NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid?
The InChIKey is WNRGNVCTKHJTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(19)5-2-7-15(8-6-13)12(18)14-10(11(16)17)9-3-4-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107405749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).