2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid

C15H25NO3 — CID 112744942

IUPAC2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H25NO3/c1-2-9-16(10-13(17)18)15(19)14(11-5-3-6-11)12-7-4-8-12/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeyKTFNZVFSPCRUBN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds7

About 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid

2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid (PubChem CID 112744942) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid
PubChem CID112744942
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H25NO3/c1-2-9-16(10-13(17)18)15(19)14(11-5-3-6-11)12-7-4-8-12/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeyKTFNZVFSPCRUBN-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
2-[(1,1-dioxothiane-2-carbonyl)-propylamino]acetic acid
CID 104517504
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022
2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[cyclopent-3-ene-1-carbonyl(propyl)amino]acetic acid
CID 64767264
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid (CID 112744942) is 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C(C1CCC1)C1CCC1.
What is the InChIKey of 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid?
The InChIKey is KTFNZVFSPCRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-9-16(10-13(17)18)15(19)14(11-5-3-6-11)12-7-4-8-12/h11-12,14H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid?
2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-di(cyclobutyl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 112744942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).