(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid

C8H17NO4 — CID 87078659

IUPAC(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
SMILESCCCCC(O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-2-3-4-7(11)9-6(5-10)8(12)13/h6-7,9-11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyCBVGASHVBCDXBS-ULUSZKPHSA-N
MW191.23 g/mol
LogP-0.47
Rot. Bonds7

About (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid

(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid (PubChem CID 87078659) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
PubChem CID87078659
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
SMILESCCCCC(O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-2-3-4-7(11)9-6(5-10)8(12)13/h6-7,9-11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyCBVGASHVBCDXBS-ULUSZKPHSA-N
XLogP-0.47
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-carboxypentylamino)hexanoic acid
CID 22643835
4-formamido-2-(1-hydroxyhexylamino)butanoic acid
CID 90975328
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 175703771
2-(octan-4-ylamino)butanoic acid
CID 106019964
2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103266665
(2R)-2-hydroxyhexanoic acid
CID 6995511
acetic acid;nonan-5-ol
CID 53445479
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid (CID 87078659) is (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid is CCCCC(O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid?
The InChIKey is CBVGASHVBCDXBS-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-3-4-7(11)9-6(5-10)8(12)13/h6-7,9-11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid?
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid is sourced from PubChem (CID 87078659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).