2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid

C9H15N5O5 — CID 142301306

IUPAC2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
SMILESCC(O)C(N)c1noc(CNC(=O)NCC(=O)O)n1
InChIInChI=1S/C9H15N5O5/c1-4(15)7(10)8-13-5(19-14-8)2-11-9(18)12-3-6(16)17/h4,7,15H,2-3,10H2,1H3,(H,16,17)(H2,11,12,18)
InChIKeyKGBPNUSVYZTMIK-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.67
Rot. Bonds6

About 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid

2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid (PubChem CID 142301306) has the molecular formula C9H15N5O5 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
PubChem CID142301306
Molecular FormulaC9H15N5O5
Molecular Weight273.25 g/mol
Exact Mass273.11
IUPAC Name2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid
SMILESCC(O)C(N)c1noc(CNC(=O)NCC(=O)O)n1
InChIInChI=1S/C9H15N5O5/c1-4(15)7(10)8-13-5(19-14-8)2-11-9(18)12-3-6(16)17/h4,7,15H,2-3,10H2,1H3,(H,16,17)(H2,11,12,18)
InChIKeyKGBPNUSVYZTMIK-UHFFFAOYSA-N
XLogP-1.67
TPSA163.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 123295543
acetylene;2-[[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid;ethanol;propan-2-one
CID 144802799
2-[[5-(1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]methylcarbamoylamino]acetic acid
CID 134525926
2-[[(1S)-4-amino-1-[3-[(1R,2S)-1-amino-2-hydroxypropyl]-1,2,4-oxadiazol-5-yl]-4-oxobutyl]carbamoylamino]acetic acid
CID 134344768
2-[[(1S)-4-amino-1-[3-[(1R,2R)-1-amino-2-hydroxypropyl]-1,2,4-oxadiazol-5-yl]-4-oxobutyl]carbamoylamino]acetic acid
CID 134344726
(4S)-4-amino-4-[5-[(3-hydroxybutan-2-ylcarbamoylamino)methyl]-1,2,4-oxadiazol-3-yl]butanoic acid
CID 166862719
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 123498855
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide
CID 134423855
acetic acid;2-[[3-(1,5-diaminopentyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 145150679
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-methoxybutanoic acid
CID 142578352
acetamide;2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]pentanedioic acid
CID 145150883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid (CID 142301306) is 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid is CC(O)C(N)c1noc(CNC(=O)NCC(=O)O)n1.
What is the InChIKey of 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid?
The InChIKey is KGBPNUSVYZTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O5/c1-4(15)7(10)8-13-5(19-14-8)2-11-9(18)12-3-6(16)17/h4,7,15H,2-3,10H2,1H3,(H,16,17)(H2,11,12,18).
What are the key properties of 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid?
2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid has a molecular weight of 273.25 g/mol, XLogP of -1.67, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]acetic acid is sourced from PubChem (CID 142301306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).