methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate

C10H19NO4 — CID 11378953

IUPACmethyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
SMILESCCN(C(=O)OC)C(C)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-11(10(13)15-4)8(2)6-7-9(12)14-3/h8H,5-7H2,1-4H3
InChIKeyDMNWUVHPBXFSPK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds5

About methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate

methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate (PubChem CID 11378953) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
PubChem CID11378953
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
SMILESCCN(C(=O)OC)C(C)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-11(10(13)15-4)8(2)6-7-9(12)14-3/h8H,5-7H2,1-4H3
InChIKeyDMNWUVHPBXFSPK-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Trimethylammonio)pentanoate
CID 90655245
Methyl 4-(dipropan-2-ylamino)-4-oxobutanoate
CID 245461
ethyl 4-(N-methyl-N-(tert-butoxycarbonyl)amino)pentanoate
CID 22714633
Methyl 4-[formyl(propyl)amino]butanoate
CID 54075417
methyl (4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59367235
Methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59868550
Methyl 4-[methoxycarbonyl(methyl)amino]butanoate
CID 59929464
Methyl 4-(dipropan-2-ylamino)butanoate
CID 60173815
4-Pyrrolidin-1-yl-pentanoic acid methyl ester
CID 67189768
4-[Acetyl(butyl)amino]pentanoic acid
CID 87834862
Ethyl 4-[methoxycarbonyl(propyl)amino]butanoate
CID 87856834
Methyl 4-[methoxycarbonyl(propyl)amino]butanoate
CID 87857184

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate?
The IUPAC name of methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate (CID 11378953) is methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate is CCN(C(=O)OC)C(C)CCC(=O)OC.
What is the InChIKey of methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate?
The InChIKey is DMNWUVHPBXFSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-11(10(13)15-4)8(2)6-7-9(12)14-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate?
methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate is sourced from PubChem (CID 11378953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).