(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

C12H18N2O4 — CID 162739246

IUPAC(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)N[C@@H](CCC(C)C)C(=O)O)no1
InChIInChI=1S/C12H18N2O4/c1-7(2)4-5-9(12(16)17)13-11(15)10-6-8(3)18-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyMVZOBLJNZUJPCC-VIFPVBQESA-N
MW254.29 g/mol
LogP1.60
Rot. Bonds6

About (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (PubChem CID 162739246) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
PubChem CID162739246
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)N[C@@H](CCC(C)C)C(=O)O)no1
InChIInChI=1S/C12H18N2O4/c1-7(2)4-5-9(12(16)17)13-11(15)10-6-8(3)18-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyMVZOBLJNZUJPCC-VIFPVBQESA-N
XLogP1.60
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]non-8-enoic acid
CID 67296662
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
CID 155374949

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (CID 162739246) is (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is Cc1cc(C(=O)N[C@@H](CCC(C)C)C(=O)O)no1.
What is the InChIKey of (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The InChIKey is MVZOBLJNZUJPCC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(2)4-5-9(12(16)17)13-11(15)10-6-8(3)18-14-10/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 162739246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).