5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid

C11H22N2O3 — CID 103262467

IUPAC5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
SMILESCC(C)NC(=O)C(C)NCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)13-11(16)9(3)12-7-5-4-6-10(14)15/h8-9,12H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyOMFOLTPSWQRQDO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.74
Rot. Bonds8

About 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid

5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid (PubChem CID 103262467) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
PubChem CID103262467
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
SMILESCC(C)NC(=O)C(C)NCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)13-11(16)9(3)12-7-5-4-6-10(14)15/h8-9,12H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyOMFOLTPSWQRQDO-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
20-oxo-20-[4-[[(2S)-1-oxo-1-sulfanylpropan-2-yl]amino]butylamino]icosanoic acid
CID 118927651

Frequently Asked Questions

What is the IUPAC name of 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid?
The IUPAC name of 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid (CID 103262467) is 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid is CC(C)NC(=O)C(C)NCCCCC(=O)O.
What is the InChIKey of 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid?
The InChIKey is OMFOLTPSWQRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)13-11(16)9(3)12-7-5-4-6-10(14)15/h8-9,12H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid?
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 103262467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).