methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride

C20H29ClN2O2 — CID 67571737

IUPACmethyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride
SMILESCCC(C)C(N)CN(CC(=O)OC)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-4-15(2)19(21)13-22(14-20(23)24-3)12-17-10-7-9-16-8-5-6-11-18(16)17;/h5-11,15,19H,4,12-14,21H2,1-3H3;1H
InChIKeyUCRQAXWNKOFHLZ-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.61
Rot. Bonds8

About methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride

methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride (PubChem CID 67571737) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride
PubChem CID67571737
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Namemethyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride
SMILESCCC(C)C(N)CN(CC(=O)OC)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-4-15(2)19(21)13-22(14-20(23)24-3)12-17-10-7-9-16-8-5-6-11-18(16)17;/h5-11,15,19H,4,12-14,21H2,1-3H3;1H
InChIKeyUCRQAXWNKOFHLZ-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide
CID 142634383
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
methyl (2S)-3-methoxy-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]propanoate
CID 54100153
methyl (2S)-2-[[2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate
CID 10840371
methyl 2-[[2-[[3-methyl-2-[[2-(pyridin-4-ylmethylsulfanyl)acetyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate
CID 67553191
(2S)-2-[[2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 54277849
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
2-[[2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 67554206
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
CID 140518585
(2S)-2-[[2-[[(2S,4R)-4-amino-5-benzylsulfanyl-2-[(2S)-butan-2-yl]-3-oxopentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 139772570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride (CID 67571737) is methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride is CCC(C)C(N)CN(CC(=O)OC)Cc1cccc2ccccc12.Cl.
What is the InChIKey of methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride?
The InChIKey is UCRQAXWNKOFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-4-15(2)19(21)13-22(14-20(23)24-3)12-17-10-7-9-16-8-5-6-11-18(16)17;/h5-11,15,19H,4,12-14,21H2,1-3H3;1H.
What are the key properties of methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride?
methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetate;hydrochloride is sourced from PubChem (CID 67571737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).