methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate

C19H24N2O4 — CID 69439961

IUPACmethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1N)C(C)OC(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)25-12(3)17(19(23)24-4)21-18(22)15-9-13-7-5-6-8-14(13)10-16(15)20/h5-12,17H,20H2,1-4H3,(H,21,22)/t12?,17-/m0/s1
InChIKeyZJTIAZBMFARNKI-TYJDENFWSA-N
MW344.41 g/mol
LogP2.51
Rot. Bonds6

About methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate (PubChem CID 69439961) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
PubChem CID69439961
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1N)C(C)OC(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)25-12(3)17(19(23)24-4)21-18(22)15-9-13-7-5-6-8-14(13)10-16(15)20/h5-12,17H,20H2,1-4H3,(H,21,22)/t12?,17-/m0/s1
InChIKeyZJTIAZBMFARNKI-TYJDENFWSA-N
XLogP2.51
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-methoxybutanoate
CID 69435371
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
CID 69431961
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
CID 141145790
methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 60954752
methyl 2-[(3-aminonaphthalene-2-carbonyl)amino]-2-[4-(trifluoromethyl)cyclohexyl]acetate;hydrochloride
CID 57450480
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
methyl (2S)-3-methoxy-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]butanoate
CID 69349285
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate?
The IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate (CID 69439961) is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate.
What is the SMILES notation for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate?
The canonical SMILES for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate is COC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1N)C(C)OC(C)C.
What is the InChIKey of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate?
The InChIKey is ZJTIAZBMFARNKI-TYJDENFWSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)25-12(3)17(19(23)24-4)21-18(22)15-9-13-7-5-6-8-14(13)10-16(15)20/h5-12,17H,20H2,1-4H3,(H,21,22)/t12?,17-/m0/s1.
What are the key properties of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate?
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate has a molecular weight of 344.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate is sourced from PubChem (CID 69439961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).