methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate

C12H24N2O3 — CID 60719528

IUPACmethyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
SMILESCCC(CC)NC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-10(6-2)14-12(16)9(3)13-8-7-11(15)17-4/h9-10,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyOHMIFNGNMRXIJS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds8

About methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate

methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate (PubChem CID 60719528) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
PubChem CID60719528
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
SMILESCCC(CC)NC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-10(6-2)14-12(16)9(3)13-8-7-11(15)17-4/h9-10,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyOHMIFNGNMRXIJS-UHFFFAOYSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
2-[(2-methoxy-2-methylpropyl)amino]-N-pentan-3-ylpropanamide
CID 115664073
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate (CID 60719528) is methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate is CCC(CC)NC(=O)C(C)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate?
The InChIKey is OHMIFNGNMRXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-10(6-2)14-12(16)9(3)13-8-7-11(15)17-4/h9-10,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate?
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate is sourced from PubChem (CID 60719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).