2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid

C10H20N2O2 — CID 163704701

IUPAC2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
SMILESCC(C)NC1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-9-3-5-12(6-4-9)7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyMCZFWQZJPQQDTN-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds4

About 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid

2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid (PubChem CID 163704701) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
PubChem CID163704701
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
SMILESCC(C)NC1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-9-3-5-12(6-4-9)7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyMCZFWQZJPQQDTN-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 171640050
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-[4-(2-methylprop-2-enoylamino)piperidin-1-yl]acetic acid
CID 67045024
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
CID 65061835
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid (CID 163704701) is 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid is CC(C)NC1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid?
The InChIKey is MCZFWQZJPQQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-9-3-5-12(6-4-9)7-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid?
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 163704701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).