methyl 3-(1-hydroxypentan-3-ylamino)butanoate

C10H21NO3 — CID 115976781

IUPACmethyl 3-(1-hydroxypentan-3-ylamino)butanoate
SMILESCCC(CCO)NC(C)CC(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-9(5-6-12)11-8(2)7-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMPWUVCXZAWSXKJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds7

About methyl 3-(1-hydroxypentan-3-ylamino)butanoate

methyl 3-(1-hydroxypentan-3-ylamino)butanoate (PubChem CID 115976781) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-(1-hydroxypentan-3-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypentan-3-ylamino)butanoate
PubChem CID115976781
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-(1-hydroxypentan-3-ylamino)butanoate
SMILESCCC(CCO)NC(C)CC(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-9(5-6-12)11-8(2)7-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMPWUVCXZAWSXKJ-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
3-(1-ethoxypropan-2-ylamino)pentan-1-ol
CID 115723073
methyl (4R)-4-ethyl-6-hydroxyhexanoate
CID 118890197
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
methyl 3-(hydroxyamino)butanoate
CID 103282672
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
CID 115905985
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
methyl (3R)-3-acetamidopentanoate
CID 11446607
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypentan-3-ylamino)butanoate?
The IUPAC name of methyl 3-(1-hydroxypentan-3-ylamino)butanoate (CID 115976781) is methyl 3-(1-hydroxypentan-3-ylamino)butanoate.
What is the SMILES notation for methyl 3-(1-hydroxypentan-3-ylamino)butanoate?
The canonical SMILES for methyl 3-(1-hydroxypentan-3-ylamino)butanoate is CCC(CCO)NC(C)CC(=O)OC.
What is the InChIKey of methyl 3-(1-hydroxypentan-3-ylamino)butanoate?
The InChIKey is MPWUVCXZAWSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-9(5-6-12)11-8(2)7-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 3-(1-hydroxypentan-3-ylamino)butanoate?
methyl 3-(1-hydroxypentan-3-ylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypentan-3-ylamino)butanoate is sourced from PubChem (CID 115976781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).