[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

C11H21N3O3 — CID 118946431

IUPAC[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(N)C1CCN(C(=O)[C@H](C)NC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)13-11(16)17/h7-9,13H,3-6,12H2,1-2H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyVGMUXLKIIQHDQX-MQWKRIRWSA-N
MW243.31 g/mol
LogP0.23
Rot. Bonds3

About [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 118946431) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
PubChem CID118946431
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(N)C1CCN(C(=O)[C@H](C)NC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)13-11(16)17/h7-9,13H,3-6,12H2,1-2H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyVGMUXLKIIQHDQX-MQWKRIRWSA-N
XLogP0.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 118946431) is [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is CC(N)C1CCN(C(=O)[C@H](C)NC(=O)O)CC1.
What is the InChIKey of [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is VGMUXLKIIQHDQX-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)13-11(16)17/h7-9,13H,3-6,12H2,1-2H3,(H,16,17)/t7?,8-/m0/s1.
What are the key properties of [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 243.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 118946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).