propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate

C8H15NO3 — CID 11644004

IUPACpropan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
SMILESC=C[C@@H](O)[C@@H](N)C(=O)OC(C)C
InChIInChI=1S/C8H15NO3/c1-4-6(10)7(9)8(11)12-5(2)3/h4-7,10H,1,9H2,2-3H3/t6-,7-/m1/s1
InChIKeyGPJPKWHFAIAXCP-RNFRBKRXSA-N
MW173.21 g/mol
LogP-0.19
Rot. Bonds4

About propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate

propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate (PubChem CID 11644004) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
PubChem CID11644004
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
SMILESC=C[C@@H](O)[C@@H](N)C(=O)OC(C)C
InChIInChI=1S/C8H15NO3/c1-4-6(10)7(9)8(11)12-5(2)3/h4-7,10H,1,9H2,2-3H3/t6-,7-/m1/s1
InChIKeyGPJPKWHFAIAXCP-RNFRBKRXSA-N
XLogP-0.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate?
The IUPAC name of propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate (CID 11644004) is propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate.
What is the SMILES notation for propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate?
The canonical SMILES for propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate is C=C[C@@H](O)[C@@H](N)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate?
The InChIKey is GPJPKWHFAIAXCP-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6(10)7(9)8(11)12-5(2)3/h4-7,10H,1,9H2,2-3H3/t6-,7-/m1/s1.
What are the key properties of propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate?
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate has a molecular weight of 173.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate is sourced from PubChem (CID 11644004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).