methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate

C10H20N2O3 — CID 82011707

IUPACmethyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CCC(C)CN
InChIInChI=1S/C10H20N2O3/c1-7(6-11)4-5-9(13)12-8(2)10(14)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyKAXSMVSSQQWLCP-MQWKRIRWSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds6

About methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate

methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate (PubChem CID 82011707) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
PubChem CID82011707
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CCC(C)CN
InChIInChI=1S/C10H20N2O3/c1-7(6-11)4-5-9(13)12-8(2)10(14)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyKAXSMVSSQQWLCP-MQWKRIRWSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 82012313
methyl 2-(pentanoylamino)propanoate
CID 541659
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62669479
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate (CID 82011707) is methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)CCC(C)CN.
What is the InChIKey of methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate?
The InChIKey is KAXSMVSSQQWLCP-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(6-11)4-5-9(13)12-8(2)10(14)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate?
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate is sourced from PubChem (CID 82011707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).