[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate

C10H17NO5 — CID 144550475

IUPAC[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate
SMILESCCOC(=O)NC(C(C)=O)C(C)OC(C)=O
InChIInChI=1S/C10H17NO5/c1-5-15-10(14)11-9(6(2)12)7(3)16-8(4)13/h7,9H,5H2,1-4H3,(H,11,14)
InChIKeyMVTIGKJOMQKQPG-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.64
Rot. Bonds5

About [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate

[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate (PubChem CID 144550475) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate
PubChem CID144550475
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate
SMILESCCOC(=O)NC(C(C)=O)C(C)OC(C)=O
InChIInChI=1S/C10H17NO5/c1-5-15-10(14)11-9(6(2)12)7(3)16-8(4)13/h7,9H,5H2,1-4H3,(H,11,14)
InChIKeyMVTIGKJOMQKQPG-UHFFFAOYSA-N
XLogP0.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59090885
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl (2R)-2-(ethoxycarbonylamino)-3-oxobutanoate
CID 11096045
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
ethyl 3-acetyloxy-2-bromobutanoate
CID 12541078
ethyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029166
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169
methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
CID 87502135

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate?
The IUPAC name of [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate (CID 144550475) is [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate.
What is the SMILES notation for [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate?
The canonical SMILES for [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate is CCOC(=O)NC(C(C)=O)C(C)OC(C)=O.
What is the InChIKey of [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate?
The InChIKey is MVTIGKJOMQKQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-15-10(14)11-9(6(2)12)7(3)16-8(4)13/h7,9H,5H2,1-4H3,(H,11,14).
What are the key properties of [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate?
[3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate has a molecular weight of 231.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)-4-oxopentan-2-yl] acetate is sourced from PubChem (CID 144550475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).