1-(propan-2-ylamino)piperidine-4-carboxylic acid

C9H18N2O2 — CID 90922436

IUPAC1-(propan-2-ylamino)piperidine-4-carboxylic acid
SMILESCC(C)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-11-5-3-8(4-6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyKDHNNNSQCSAVGP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.70
Rot. Bonds3

About 1-(propan-2-ylamino)piperidine-4-carboxylic acid

1-(propan-2-ylamino)piperidine-4-carboxylic acid (PubChem CID 90922436) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(propan-2-ylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)piperidine-4-carboxylic acid
PubChem CID90922436
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(propan-2-ylamino)piperidine-4-carboxylic acid
SMILESCC(C)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-11-5-3-8(4-6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyKDHNNNSQCSAVGP-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)piperidine-4-carboxylic acid (CID 90922436) is 1-(propan-2-ylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)piperidine-4-carboxylic acid is CC(C)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(propan-2-ylamino)piperidine-4-carboxylic acid?
The InChIKey is KDHNNNSQCSAVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)10-11-5-3-8(4-6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(propan-2-ylamino)piperidine-4-carboxylic acid?
1-(propan-2-ylamino)piperidine-4-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 90922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).