3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide

C9H20N2O3 — CID 106113185

IUPAC3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)CCCO
InChIInChI=1S/C9H20N2O3/c1-7(4-3-5-12)11-9(13)8(6-10)14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyTVMKPNVADIEIFT-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds7

About 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide

3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide (PubChem CID 106113185) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide
PubChem CID106113185
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)CCCO
InChIInChI=1S/C9H20N2O3/c1-7(4-3-5-12)11-9(13)8(6-10)14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyTVMKPNVADIEIFT-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
CID 106112569
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 106161500
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
CID 106113366
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
5-hydroxypentan-2-ylcarbamic acid
CID 87586302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide (CID 106113185) is 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide is COC(CN)C(=O)NC(C)CCCO.
What is the InChIKey of 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide?
The InChIKey is TVMKPNVADIEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(4-3-5-12)11-9(13)8(6-10)14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide?
3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide is sourced from PubChem (CID 106113185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).