(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid

C10H19NO5 — CID 86699907

IUPAC(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid
SMILESCCCCCOC(=O)N[C@@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C10H19NO5/c1-3-4-5-6-16-10(15)11-8(7(2)12)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyBTBYVCPWAUVKIL-JGVFFNPUSA-N
MW233.26 g/mol
LogP0.74
Rot. Bonds7

About (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid

(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid (PubChem CID 86699907) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid
PubChem CID86699907
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid
SMILESCCCCCOC(=O)N[C@@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C10H19NO5/c1-3-4-5-6-16-10(15)11-8(7(2)12)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyBTBYVCPWAUVKIL-JGVFFNPUSA-N
XLogP0.74
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(tetradecoxycarbonylamino)butanoic acid
CID 18699362
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
heptyl 3-methyl-2-(propoxycarbonylamino)butanoate
CID 6424369
decyl (2S)-3-methyl-2-(propoxycarbonylamino)butanoate
CID 20837206
dodecyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424684
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid (CID 86699907) is (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid is CCCCCOC(=O)N[C@@H](C(=O)O)[C@H](C)O.
What is the InChIKey of (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid?
The InChIKey is BTBYVCPWAUVKIL-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-4-5-6-16-10(15)11-8(7(2)12)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid?
(2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(pentoxycarbonylamino)butanoic acid is sourced from PubChem (CID 86699907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).