methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate

C14H26N2O3 — CID 60687231

IUPACmethyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CNC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-12(14(18)19-3)16-13(17)9-15-11-6-4-5-7-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXSUDDOFRSKTSBR-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds7

About methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate

methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate (PubChem CID 60687231) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
PubChem CID60687231
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CNC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-12(14(18)19-3)16-13(17)9-15-11-6-4-5-7-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXSUDDOFRSKTSBR-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
methyl 2-(cyclohexylcarbamothioylamino)-4-methylpentanoate
CID 116507939
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
2-[[2-(cyclopentylamino)acetyl]amino]propanamide
CID 60848891
2-(cyclopentylamino)-N-(5-methylhexan-2-yl)acetamide
CID 54917648
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
methyl 2-[[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 79411094
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
methyl (2S)-2-(3-aminopropanoylamino)-4-methylpentanoate
CID 103954799

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate (CID 60687231) is methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)CNC1CCCC1.
What is the InChIKey of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate?
The InChIKey is XSUDDOFRSKTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-12(14(18)19-3)16-13(17)9-15-11-6-4-5-7-11/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate has a molecular weight of 270.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 60687231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).