[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid

C12H17N3O5 — CID 118541836

IUPAC[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(NC(=O)O)CN(Cc2ccco2)C1
InChIInChI=1S/C12H17N3O5/c16-11(17)13-8-4-9(14-12(18)19)6-15(5-8)7-10-2-1-3-20-10/h1-3,8-9,13-14H,4-7H2,(H,16,17)(H,18,19)
InChIKeyQPKSKDRQJQILSJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.76
Rot. Bonds4

About [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid

[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid (PubChem CID 118541836) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
PubChem CID118541836
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(NC(=O)O)CN(Cc2ccco2)C1
InChIInChI=1S/C12H17N3O5/c16-11(17)13-8-4-9(14-12(18)19)6-15(5-8)7-10-2-1-3-20-10/h1-3,8-9,13-14H,4-7H2,(H,16,17)(H,18,19)
InChIKeyQPKSKDRQJQILSJ-UHFFFAOYSA-N
XLogP0.76
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
CID 97379986
[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
CID 155094277
2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
CID 98815635
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719

Frequently Asked Questions

What is the IUPAC name of [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid (CID 118541836) is [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid is O=C(O)NC1CC(NC(=O)O)CN(Cc2ccco2)C1.
What is the InChIKey of [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid?
The InChIKey is QPKSKDRQJQILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-11(17)13-8-4-9(14-12(18)19)6-15(5-8)7-10-2-1-3-20-10/h1-3,8-9,13-14H,4-7H2,(H,16,17)(H,18,19).
What are the key properties of [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid?
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid has a molecular weight of 283.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 118541836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).