(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid

C9H20N4O4S — CID 67154842

IUPAC(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
SMILESN[C@@H](CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17)/t8-/m0/s1
InChIKeyLOSQUINHVPMDHW-QMMMGPOBSA-N
MW280.35 g/mol
LogP-2.10
Rot. Bonds6

About (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid

(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid (PubChem CID 67154842) has the molecular formula C9H20N4O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
PubChem CID67154842
Molecular FormulaC9H20N4O4S
Molecular Weight280.35 g/mol
Exact Mass280.12
IUPAC Name(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
SMILESN[C@@H](CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17)/t8-/m0/s1
InChIKeyLOSQUINHVPMDHW-QMMMGPOBSA-N
XLogP-2.10
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154841
2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
CID 87289653
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
4-[cyclopropylmethyl(sulfamoyl)amino]piperidine
CID 167049531
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
CID 67154306
(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid
CID 174670415
2-methyl-3-[methyl(piperidin-4-ylmethyl)amino]propanamide
CID 79717263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid (CID 67154842) is (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid is N[C@@H](CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The InChIKey is LOSQUINHVPMDHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid is sourced from PubChem (CID 67154842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).