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

C10H21NO2 — CID 43139672

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

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

methyl 3-(3-methylpentan-2-ylamino)propanoate (PubChem CID 43139672) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-(3-methylpentan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylpentan-2-ylamino)propanoate
PubChem CID43139672
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-(3-methylpentan-2-ylamino)propanoate
SMILESCCC(C)C(C)NCCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-8(2)9(3)11-7-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyULSUALAKWLTVPQ-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

3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide
CID 115714965
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylpentan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(3-methylpentan-2-ylamino)propanoate (CID 43139672) is methyl 3-(3-methylpentan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(3-methylpentan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(3-methylpentan-2-ylamino)propanoate is CCC(C)C(C)NCCC(=O)OC.
What is the InChIKey of methyl 3-(3-methylpentan-2-ylamino)propanoate?
The InChIKey is ULSUALAKWLTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(2)9(3)11-7-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 3-(3-methylpentan-2-ylamino)propanoate?
methyl 3-(3-methylpentan-2-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-(3-methylpentan-2-ylamino)propanoate is sourced from PubChem (CID 43139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).