butyl 2-(1-cyclopropylbutan-2-ylamino)acetate

C13H25NO2 — CID 63995531

IUPACbutyl 2-(1-cyclopropylbutan-2-ylamino)acetate
SMILESCCCCOC(=O)CNC(CC)CC1CC1
InChIInChI=1S/C13H25NO2/c1-3-5-8-16-13(15)10-14-12(4-2)9-11-6-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyGQLCSNIQGHCIBL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds9

About butyl 2-(1-cyclopropylbutan-2-ylamino)acetate

butyl 2-(1-cyclopropylbutan-2-ylamino)acetate (PubChem CID 63995531) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is butyl 2-(1-cyclopropylbutan-2-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(1-cyclopropylbutan-2-ylamino)acetate
PubChem CID63995531
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namebutyl 2-(1-cyclopropylbutan-2-ylamino)acetate
SMILESCCCCOC(=O)CNC(CC)CC1CC1
InChIInChI=1S/C13H25NO2/c1-3-5-8-16-13(15)10-14-12(4-2)9-11-6-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyGQLCSNIQGHCIBL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63996725
ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
CID 103251898
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106159517
butyl 2-[(4-propylcyclohexyl)amino]acetate
CID 54962947
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 63993753
butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl 2-(cyclooctylamino)acetate
CID 54917785
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416491
butyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetate
CID 113406977

Frequently Asked Questions

What is the IUPAC name of butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The IUPAC name of butyl 2-(1-cyclopropylbutan-2-ylamino)acetate (CID 63995531) is butyl 2-(1-cyclopropylbutan-2-ylamino)acetate.
What is the SMILES notation for butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The canonical SMILES for butyl 2-(1-cyclopropylbutan-2-ylamino)acetate is CCCCOC(=O)CNC(CC)CC1CC1.
What is the InChIKey of butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The InChIKey is GQLCSNIQGHCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-8-16-13(15)10-14-12(4-2)9-11-6-7-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(1-cyclopropylbutan-2-ylamino)acetate is sourced from PubChem (CID 63995531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).