methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate

C9H18N2O3 — CID 43089101

IUPACmethyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
SMILESCOC(=O)CNC(C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)11-9(13)7(3)10-5-8(12)14-4/h6-7,10H,5H2,1-4H3,(H,11,13)
InChIKeyIQZNIXMTNNMQAN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds5

About methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate

methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate (PubChem CID 43089101) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
PubChem CID43089101
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
SMILESCOC(=O)CNC(C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)11-9(13)7(3)10-5-8(12)14-4/h6-7,10H,5H2,1-4H3,(H,11,13)
InChIKeyIQZNIXMTNNMQAN-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
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methyl 2-(1-aminopropan-2-ylamino)acetate
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N-propan-2-yl-2-(prop-2-enylamino)propanamide
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2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
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methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
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2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
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2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
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2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate (CID 43089101) is methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate is COC(=O)CNC(C)C(=O)NC(C)C.
What is the InChIKey of methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate?
The InChIKey is IQZNIXMTNNMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)11-9(13)7(3)10-5-8(12)14-4/h6-7,10H,5H2,1-4H3,(H,11,13).
What are the key properties of methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate?
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 43089101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).