methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate

C10H20N2O3 — CID 4662809

IUPACmethyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
SMILESCOC(=O)C(NC(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)8(9(13)15-5)12-10(14)11-7(3)4/h6-8H,1-5H3,(H2,11,12,14)
InChIKeySBGFJYRYGBNHGW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.89
Rot. Bonds4

About methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate

methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate (PubChem CID 4662809) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
PubChem CID4662809
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
SMILESCOC(=O)C(NC(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)8(9(13)15-5)12-10(14)11-7(3)4/h6-8H,1-5H3,(H2,11,12,14)
InChIKeySBGFJYRYGBNHGW-UHFFFAOYSA-N
XLogP0.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
methyl (2S)-2-[[(2R)-heptan-2-yl]carbamoylamino]-3-methylbutanoate
CID 2002461
methyl (2S)-2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 944987
methyl 2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 5218445
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
methyl 2-(2-bromopropanoylamino)-3-methylbutanoate
CID 82110652
methyl (2S)-2-(dimethylcarbamoylamino)-3-methylbutanoate
CID 124511602
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl (2S)-3-methyl-2-[4-(propan-2-ylamino)butanoylamino]butanoate
CID 54904401

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate (CID 4662809) is methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate is COC(=O)C(NC(=O)NC(C)C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The InChIKey is SBGFJYRYGBNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)8(9(13)15-5)12-10(14)11-7(3)4/h6-8H,1-5H3,(H2,11,12,14).
What are the key properties of methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate has a molecular weight of 216.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate is sourced from PubChem (CID 4662809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).