5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid

C12H23NO3 — CID 23588339

IUPAC5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)CN(C(=O)CCCC(=O)O)C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)8-13(10(3)4)11(14)6-5-7-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyKKTMVNNSVVHKQD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.13
Rot. Bonds7

About 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid

5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 23588339) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
PubChem CID23588339
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)CN(C(=O)CCCC(=O)O)C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)8-13(10(3)4)11(14)6-5-7-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyKKTMVNNSVVHKQD-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 55000606
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
5-[hydroxy(methyl)amino]-5-oxopentanoic acid
CID 46224091
6-methylheptanoic acid;vanadium
CID 174623955

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid (CID 23588339) is 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid is CC(C)CN(C(=O)CCCC(=O)O)C(C)C.
What is the InChIKey of 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is KKTMVNNSVVHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)8-13(10(3)4)11(14)6-5-7-12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid?
5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 23588339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).