methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate

C10H20N2O3 — CID 61146510

IUPACmethyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)[C@H](C)N)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-6(2)8(10(14)15-4)12-9(13)7(3)11/h6-8H,5,11H2,1-4H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyUEWPOYCHGCGVJS-WTIBDHCWSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds5

About methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate

methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate (PubChem CID 61146510) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
PubChem CID61146510
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)[C@H](C)N)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-6(2)8(10(14)15-4)12-9(13)7(3)11/h6-8H,5,11H2,1-4H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyUEWPOYCHGCGVJS-WTIBDHCWSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 18239125
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methylpentanoyl]amino]acetic acid
CID 18232769
(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
CID 145453524
methyl 3-methyl-2-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexanoyl]amino]pentanoate
CID 166969402
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate (CID 61146510) is methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)[C@H](C)N)C(=O)OC.
What is the InChIKey of methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate?
The InChIKey is UEWPOYCHGCGVJS-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6(2)8(10(14)15-4)12-9(13)7(3)11/h6-8H,5,11H2,1-4H3,(H,12,13)/t6?,7-,8?/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate?
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 61146510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).