ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate

C10H19NO4 — CID 89138775

IUPACethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-15-9(12)8(6-7(2)3)11-10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyAWZNDPXQGFKWBH-QMMMGPOBSA-N
MW217.26 g/mol
LogP1.32
Rot. Bonds5

About ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate

ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate (PubChem CID 89138775) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
PubChem CID89138775
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-15-9(12)8(6-7(2)3)11-10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyAWZNDPXQGFKWBH-QMMMGPOBSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
decyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423225
4-methylpentyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423220
decyl 2-(ethoxycarbonylamino)-4-methylpentanoate
CID 6424356
methyl N-(5-methyl-2-oxohexan-3-yl)carbamate
CID 76748029
methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407232
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
ethyl (2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]pentanoate
CID 22852507
ethyl (2S)-4-chloro-2-(methoxycarbonylamino)butanoate;hydrochloride
CID 170946491
ethyl N-(1-chloro-5-methyl-2-oxohexan-3-yl)carbamate
CID 104700673

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate?
The IUPAC name of ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate (CID 89138775) is ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate.
What is the SMILES notation for ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate?
The canonical SMILES for ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate is CCOC(=O)[C@H](CC(C)C)NC(=O)OC.
What is the InChIKey of ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate?
The InChIKey is AWZNDPXQGFKWBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-15-9(12)8(6-7(2)3)11-10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate?
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate has a molecular weight of 217.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate is sourced from PubChem (CID 89138775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).