methyl 3-(2-methylpentan-3-ylamino)propanoate

C10H21NO2 — CID 43774714

IUPACmethyl 3-(2-methylpentan-3-ylamino)propanoate
SMILESCCC(NCCC(=O)OC)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyOVNFCKKZHANUIG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds6

About methyl 3-(2-methylpentan-3-ylamino)propanoate

methyl 3-(2-methylpentan-3-ylamino)propanoate (PubChem CID 43774714) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-(2-methylpentan-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylpentan-3-ylamino)propanoate
PubChem CID43774714
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-(2-methylpentan-3-ylamino)propanoate
SMILESCCC(NCCC(=O)OC)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyOVNFCKKZHANUIG-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
3-(2-methylpentan-3-ylamino)-N-phenylpropanamide
CID 119106534
tert-butyl (2S)-2-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 21309732
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpentan-3-ylamino)propanoate?
The IUPAC name of methyl 3-(2-methylpentan-3-ylamino)propanoate (CID 43774714) is methyl 3-(2-methylpentan-3-ylamino)propanoate.
What is the SMILES notation for methyl 3-(2-methylpentan-3-ylamino)propanoate?
The canonical SMILES for methyl 3-(2-methylpentan-3-ylamino)propanoate is CCC(NCCC(=O)OC)C(C)C.
What is the InChIKey of methyl 3-(2-methylpentan-3-ylamino)propanoate?
The InChIKey is OVNFCKKZHANUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 3-(2-methylpentan-3-ylamino)propanoate?
methyl 3-(2-methylpentan-3-ylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpentan-3-ylamino)propanoate is sourced from PubChem (CID 43774714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).