(1S)-1-(2-aminoethylamino)propane-1,2-diol

C5H14N2O2 — CID 174340502

IUPAC(1S)-1-(2-aminoethylamino)propane-1,2-diol
SMILESCC(O)[C@H](O)NCCN
InChIInChI=1S/C5H14N2O2/c1-4(8)5(9)7-3-2-6/h4-5,7-9H,2-3,6H2,1H3/t4?,5-/m0/s1
InChIKeySQAGBZQCSAUBDE-AKGZTFGVSA-N
MW134.18 g/mol
LogP-1.77
Rot. Bonds4

About (1S)-1-(2-aminoethylamino)propane-1,2-diol

(1S)-1-(2-aminoethylamino)propane-1,2-diol (PubChem CID 174340502) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (1S)-1-(2-aminoethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(2-aminoethylamino)propane-1,2-diol
PubChem CID174340502
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name(1S)-1-(2-aminoethylamino)propane-1,2-diol
SMILESCC(O)[C@H](O)NCCN
InChIInChI=1S/C5H14N2O2/c1-4(8)5(9)7-3-2-6/h4-5,7-9H,2-3,6H2,1H3/t4?,5-/m0/s1
InChIKeySQAGBZQCSAUBDE-AKGZTFGVSA-N
XLogP-1.77
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.77
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

N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
2-(2-aminoethylamino)propanamide
CID 20551229
8-(2-aminoethylamino)-4,5,6,7,8-pentahydroxyoctan-3-one
CID 163668162
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
CID 172753617
CID 172753617
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
1-(2-aminoethylamino)-3-methylhexan-1-ol
CID 89007637
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
N'-but-3-yn-2-ylethane-1,2-diamine
CID 15065593
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
CID 6850067

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-aminoethylamino)propane-1,2-diol?
The IUPAC name of (1S)-1-(2-aminoethylamino)propane-1,2-diol (CID 174340502) is (1S)-1-(2-aminoethylamino)propane-1,2-diol.
What is the SMILES notation for (1S)-1-(2-aminoethylamino)propane-1,2-diol?
The canonical SMILES for (1S)-1-(2-aminoethylamino)propane-1,2-diol is CC(O)[C@H](O)NCCN.
What is the InChIKey of (1S)-1-(2-aminoethylamino)propane-1,2-diol?
The InChIKey is SQAGBZQCSAUBDE-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-4(8)5(9)7-3-2-6/h4-5,7-9H,2-3,6H2,1H3/t4?,5-/m0/s1.
What are the key properties of (1S)-1-(2-aminoethylamino)propane-1,2-diol?
(1S)-1-(2-aminoethylamino)propane-1,2-diol has a molecular weight of 134.18 g/mol, XLogP of -1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-aminoethylamino)propane-1,2-diol is sourced from PubChem (CID 174340502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).