(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid

C10H22N2O3 — CID 87566861

IUPAC(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
SMILESCCCCCN(O)CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N2O3/c1-2-3-4-7-12(15)8-5-6-9(11)10(13)14/h9,15H,2-8,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZXKNDTSTESHZLI-VIFPVBQESA-N
MW218.30 g/mol
LogP1.06
Rot. Bonds9

About (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid

(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid (PubChem CID 87566861) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
PubChem CID87566861
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
SMILESCCCCCN(O)CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N2O3/c1-2-3-4-7-12(15)8-5-6-9(11)10(13)14/h9,15H,2-8,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZXKNDTSTESHZLI-VIFPVBQESA-N
XLogP1.06
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
CID 122661967
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoic acid
CID 154597375
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
2-aminopentanoic acid;pentanoic acid
CID 158644900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid (CID 87566861) is (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid is CCCCCN(O)CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid?
The InChIKey is ZXKNDTSTESHZLI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O3/c1-2-3-4-7-12(15)8-5-6-9(11)10(13)14/h9,15H,2-8,11H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid?
(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid has a molecular weight of 218.30 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid is sourced from PubChem (CID 87566861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).