(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene

C8H13NO3 — CID 67815076

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene
SMILESC1=CCC=C1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H6.C3H7NO3/c1-2-4-5-3-1;4-2(1-5)3(6)7/h1-4H,5H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyZSNPKFLFURGNOF-WNQIDUERSA-N
MW171.20 g/mol
LogP-0.11
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene

(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene (PubChem CID 67815076) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene
PubChem CID67815076
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene
SMILESC1=CCC=C1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H6.C3H7NO3/c1-2-4-5-3-1;4-2(1-5)3(6)7/h1-4H,5H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyZSNPKFLFURGNOF-WNQIDUERSA-N
XLogP-0.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene (CID 67815076) is (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene is C1=CCC=C1.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene?
The InChIKey is ZSNPKFLFURGNOF-WNQIDUERSA-N. The full InChI is InChI=1S/C5H6.C3H7NO3/c1-2-4-5-3-1;4-2(1-5)3(6)7/h1-4H,5H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene?
(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene has a molecular weight of 171.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene is sourced from PubChem (CID 67815076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).