methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate

C18H21NO3 — CID 170884444

IUPACmethyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCC2CC2)c2ccccc12
InChIInChI=1S/C18H21NO3/c1-21-18(20)16(19)10-13-8-9-17(22-11-12-6-7-12)15-5-3-2-4-14(13)15/h2-5,8-9,12,16H,6-7,10-11,19H2,1H3
InChIKeyBHGUQZXGPKCAEQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.67
Rot. Bonds6

About methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate

methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate (PubChem CID 170884444) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate
PubChem CID170884444
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCC2CC2)c2ccccc12
InChIInChI=1S/C18H21NO3/c1-21-18(20)16(19)10-13-8-9-17(22-11-12-6-7-12)15-5-3-2-4-14(13)15/h2-5,8-9,12,16H,6-7,10-11,19H2,1H3
InChIKeyBHGUQZXGPKCAEQ-UHFFFAOYSA-N
XLogP2.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
CID 143152114
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
CID 119339475
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate (CID 170884444) is methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate is COC(=O)C(N)Cc1ccc(OCC2CC2)c2ccccc12.
What is the InChIKey of methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate?
The InChIKey is BHGUQZXGPKCAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-18(20)16(19)10-13-8-9-17(22-11-12-6-7-12)15-5-3-2-4-14(13)15/h2-5,8-9,12,16H,6-7,10-11,19H2,1H3.
What are the key properties of methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate?
methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate has a molecular weight of 299.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate is sourced from PubChem (CID 170884444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).