2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid

C10H20N2O2 — CID 62823989

IUPAC2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
SMILESCC(C)N1CCCN(CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2)12-5-3-4-11(6-7-12)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLZSQJIFSPPVNSS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid

2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid (PubChem CID 62823989) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
PubChem CID62823989
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
SMILESCC(C)N1CCCN(CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2)12-5-3-4-11(6-7-12)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLZSQJIFSPPVNSS-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
CID 65061835
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[4-(1-cyclobutylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 113490288
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
2-[7-(carboxymethyl)-4-(2-oxopropyl)-10-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[8-(carboxymethyl)-11-(2-oxopropyl)-4-propan-2-yl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid;methane;4-propan-2-yl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;1-propan-2-yl-1,4,7,10-tetrazacyclododecane;1-propan-2-yl-1,4,8,11-tetrazacyclotetradecane;1-propan-2-yl-1,5,9-triazacyclododecane;1-propan-2-yl-1,4,7-triazonane
CID 161170230
2-[4-(1-amino-1-oxobutan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62901402
2-[4-(1-phenylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 65061746
2-[4,7-bis(carboxymethyl)-6,10-di(propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118027495
2-[4-[1-(1-ethylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]acetic acid
CID 65061839
(2R)-3-methyl-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 171599562
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid?
The IUPAC name of 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid (CID 62823989) is 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid?
The canonical SMILES for 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid is CC(C)N1CCCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid?
The InChIKey is LZSQJIFSPPVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)12-5-3-4-11(6-7-12)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid?
2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid is sourced from PubChem (CID 62823989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).