(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate

C11H19NO3 — CID 71878693

IUPAC(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate
SMILESCCCC(=O)NCC(=O)OCC1CC1C
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-11(14)15-7-9-5-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCVJUPSYHJGZBGP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds6

About (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate

(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate (PubChem CID 71878693) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate
PubChem CID71878693
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate
SMILESCCCC(=O)NCC(=O)OCC1CC1C
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-11(14)15-7-9-5-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCVJUPSYHJGZBGP-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate
CID 95616449
2-methylsulfanylethyl 2-(butanoylamino)acetate
CID 78862309
ethyl 2-(pentanoylamino)acetate
CID 4279931
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate
CID 118000449
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
butyl 8-[(2-butoxy-2-oxoethyl)amino]-8-oxooctanoate
CID 6426995
ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
CID 64618961
(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate
CID 5112470
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467
cyclopropylmethyl 2-(diethylcarbamoylamino)acetate
CID 71876608
zinc bis(2-(butanoylamino)acetate)
CID 157281731

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate?
The IUPAC name of (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate (CID 71878693) is (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate.
What is the SMILES notation for (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate?
The canonical SMILES for (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate is CCCC(=O)NCC(=O)OCC1CC1C.
What is the InChIKey of (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate?
The InChIKey is CVJUPSYHJGZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-10(13)12-6-11(14)15-7-9-5-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate?
(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate has a molecular weight of 213.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl 2-(butanoylamino)acetate is sourced from PubChem (CID 71878693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).