(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid

C11H17N3O4 — CID 106421211

IUPAC(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-9(10(15)16)14-11(17)12-7-8-5-6-13-18-8/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H2,12,14,17)/t9-/m0/s1
InChIKeyQBFULZACSXWZEW-VIFPVBQESA-N
MW255.27 g/mol
LogP1.12
Rot. Bonds7

About (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid

(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid (PubChem CID 106421211) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
PubChem CID106421211
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-9(10(15)16)14-11(17)12-7-8-5-6-13-18-8/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H2,12,14,17)/t9-/m0/s1
InChIKeyQBFULZACSXWZEW-VIFPVBQESA-N
XLogP1.12
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421210
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
(2S)-2-[(4-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 107145439
2-[(1-methylimidazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 63293866
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62308244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid (CID 106421211) is (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid is CCCC[C@H](NC(=O)NCc1ccno1)C(=O)O.
What is the InChIKey of (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The InChIKey is QBFULZACSXWZEW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-4-9(10(15)16)14-11(17)12-7-8-5-6-13-18-8/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H2,12,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 106421211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).