ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate

C17H32N2O3 — CID 11266967

IUPACethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1(CNC(=O)C(N)C(C)CC)CCCCC1
InChIInChI=1S/C17H32N2O3/c1-4-13(3)15(18)16(21)19-12-17(9-7-6-8-10-17)11-14(20)22-5-2/h13,15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyUGSSLVNBGSLJOM-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.38
Rot. Bonds8

About ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate

ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate (PubChem CID 11266967) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate
PubChem CID11266967
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nameethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1(CNC(=O)C(N)C(C)CC)CCCCC1
InChIInChI=1S/C17H32N2O3/c1-4-13(3)15(18)16(21)19-12-17(9-7-6-8-10-17)11-14(20)22-5-2/h13,15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyUGSSLVNBGSLJOM-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexyl]acetic acid
CID 61660424
2-[1-[[[(2S)-2-aminopropanoyl]amino]methyl]cyclohexyl]acetic acid
CID 76285449
2-(1-adamantyl)ethyl 3-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]methyl]hexanoate;hydrochloride
CID 23519703
isobutyl (2S)-3-cyclohexyl-2-[[2-[[(1S)-1-(cyclohexylmethyl)-2-isobutoxy-2-oxo-ethyl]amino]-2-oxo-acetyl]amino]propanoate
CID 455994
2-(1-adamantyl)ethyl 3-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]methyl]hexanoate
CID 23519704
ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CID 137349085
Methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate
CID 5242807
ethyl 2-[(1R,2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl]acetate
CID 102163875
ethyl 2-[(1R)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl]acetate
CID 134838909
ethyl 2-[(1S,2S)-2-acetamidocyclohexyl]acetate
CID 162401039
Ethyl 7-(diethylamino)-4-formamido-2,2-dimethyl-7-oxoheptanoate
CID 164685010
l-Alanine, N-(cyclohexylcarbonyl)-, octyl ester
CID 6420546

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate (CID 11266967) is ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate is CCOC(=O)CC1(CNC(=O)C(N)C(C)CC)CCCCC1.
What is the InChIKey of ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate?
The InChIKey is UGSSLVNBGSLJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-13(3)15(18)16(21)19-12-17(9-7-6-8-10-17)11-14(20)22-5-2/h13,15H,4-12,18H2,1-3H3,(H,19,21).
What are the key properties of ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate?
ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate has a molecular weight of 312.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[(2-amino-3-methylpentanoyl)amino]methyl]cyclohexyl]acetate is sourced from PubChem (CID 11266967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).