(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid

C19H27NO4 — CID 119363993

IUPAC(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
SMILESCc1ccc(C2(C(=O)N[C@H](CC(C)C)C(=O)O)CCOCC2)cc1
InChIInChI=1S/C19H27NO4/c1-13(2)12-16(17(21)22)20-18(23)19(8-10-24-11-9-19)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyLZOPAZUMQGOVGP-MRXNPFEDSA-N
MW333.43 g/mol
LogP2.66
Rot. Bonds6

About (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid

(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid (PubChem CID 119363993) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
PubChem CID119363993
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
SMILESCc1ccc(C2(C(=O)N[C@H](CC(C)C)C(=O)O)CCOCC2)cc1
InChIInChI=1S/C19H27NO4/c1-13(2)12-16(17(21)22)20-18(23)19(8-10-24-11-9-19)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyLZOPAZUMQGOVGP-MRXNPFEDSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
(2R)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoic acid
CID 7679862
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 119526063
(2S)-2-[[1-[(2R)-2-amino-3-sulfanylpropanoyl]-4-phenylpiperidine-4-carbonyl]amino]-4-methylpentanoic acid
CID 508167
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537644
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid (CID 119363993) is (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid is Cc1ccc(C2(C(=O)N[C@H](CC(C)C)C(=O)O)CCOCC2)cc1.
What is the InChIKey of (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid?
The InChIKey is LZOPAZUMQGOVGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(2)12-16(17(21)22)20-18(23)19(8-10-24-11-9-19)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid has a molecular weight of 333.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119363993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).