methyl (3R)-3-(ethoxycarbonylamino)butanoate

C8H15NO4 — CID 102236477

IUPACmethyl (3R)-3-(ethoxycarbonylamino)butanoate
SMILESCCOC(=O)N[C@H](C)CC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyAXFVKVXHZDQMGP-ZCFIWIBFSA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds4

About methyl (3R)-3-(ethoxycarbonylamino)butanoate

methyl (3R)-3-(ethoxycarbonylamino)butanoate (PubChem CID 102236477) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl (3R)-3-(ethoxycarbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(ethoxycarbonylamino)butanoate
PubChem CID102236477
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl (3R)-3-(ethoxycarbonylamino)butanoate
SMILESCCOC(=O)N[C@H](C)CC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyAXFVKVXHZDQMGP-ZCFIWIBFSA-N
XLogP0.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(5-chloro-4-oxopentan-2-yl)carbamate
CID 104700785
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl N-[(E,2R)-4-oxonon-5-en-2-yl]carbamate
CID 71613233
hexyl 3-(hexoxycarbonylamino)butanoate
CID 91729746
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(ethoxycarbonylamino)butanoate?
The IUPAC name of methyl (3R)-3-(ethoxycarbonylamino)butanoate (CID 102236477) is methyl (3R)-3-(ethoxycarbonylamino)butanoate.
What is the SMILES notation for methyl (3R)-3-(ethoxycarbonylamino)butanoate?
The canonical SMILES for methyl (3R)-3-(ethoxycarbonylamino)butanoate is CCOC(=O)N[C@H](C)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-(ethoxycarbonylamino)butanoate?
The InChIKey is AXFVKVXHZDQMGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1.
What are the key properties of methyl (3R)-3-(ethoxycarbonylamino)butanoate?
methyl (3R)-3-(ethoxycarbonylamino)butanoate has a molecular weight of 189.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(ethoxycarbonylamino)butanoate is sourced from PubChem (CID 102236477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).