(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide

C9H18N2O2 — CID 130491694

IUPAC(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
SMILESCC1COCCC1NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2O2/c1-6-5-13-4-3-8(6)11-9(12)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1
InChIKeyVFJRVLUSLLKSTQ-WTIBDHCWSA-N
MW186.25 g/mol
LogP-0.13
Rot. Bonds2

About (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide

(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide (PubChem CID 130491694) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
PubChem CID130491694
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
SMILESCC1COCCC1NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2O2/c1-6-5-13-4-3-8(6)11-9(12)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1
InChIKeyVFJRVLUSLLKSTQ-WTIBDHCWSA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66238925
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
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2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
CID 119343794
5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
CID 114241226
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
CID 114240743
4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 114241256
2-amino-1-methyl-N-(3-methyloxan-4-yl)cyclopentane-1-carboxamide
CID 114240938
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide (CID 130491694) is (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide is CC1COCCC1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide?
The InChIKey is VFJRVLUSLLKSTQ-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-5-13-4-3-8(6)11-9(12)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide?
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methyloxan-4-yl)propanamide is sourced from PubChem (CID 130491694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).