methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate

C10H21NO2 — CID 43723692

IUPACmethyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(C)CC(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-8(3)11-9(4)10(12)13-5/h7-9,11H,6H2,1-5H3/t8?,9-/m0/s1
InChIKeyJBLCLZDGKMSJOJ-GKAPJAKFSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds5

About methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate

methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate (PubChem CID 43723692) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
PubChem CID43723692
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(C)CC(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-8(3)11-9(4)10(12)13-5/h7-9,11H,6H2,1-5H3/t8?,9-/m0/s1
InChIKeyJBLCLZDGKMSJOJ-GKAPJAKFSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
CID 43372165
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
(2S)-2-[[(2S)-2-[(1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 88654234
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
CID 88576332

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate?
The IUPAC name of methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate (CID 43723692) is methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate is COC(=O)[C@H](C)NC(C)CC(C)C.
What is the InChIKey of methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate?
The InChIKey is JBLCLZDGKMSJOJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)6-8(3)11-9(4)10(12)13-5/h7-9,11H,6H2,1-5H3/t8?,9-/m0/s1.
What are the key properties of methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate?
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate is sourced from PubChem (CID 43723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).