(3R)-3,4-diaminobut-1-en-2-ol

C4H10N2O — CID 129030503

IUPAC(3R)-3,4-diaminobut-1-en-2-ol
SMILESC=C(O)[C@H](N)CN
InChIInChI=1S/C4H10N2O/c1-3(7)4(6)2-5/h4,7H,1-2,5-6H2/t4-/m1/s1
InChIKeyRGLAYANYMGIVDU-SCSAIBSYSA-N
MW102.14 g/mol
LogP-0.66
Rot. Bonds2

About (3R)-3,4-diaminobut-1-en-2-ol

(3R)-3,4-diaminobut-1-en-2-ol (PubChem CID 129030503) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (3R)-3,4-diaminobut-1-en-2-ol.

Molecular Properties

Compound Name(3R)-3,4-diaminobut-1-en-2-ol
PubChem CID129030503
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(3R)-3,4-diaminobut-1-en-2-ol
SMILESC=C(O)[C@H](N)CN
InChIInChI=1S/C4H10N2O/c1-3(7)4(6)2-5/h4,7H,1-2,5-6H2/t4-/m1/s1
InChIKeyRGLAYANYMGIVDU-SCSAIBSYSA-N
XLogP-0.66
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3-diaminopropanoic acid
CID 160927094
(2R)-3-[[(2R)-2-amino-3-hydroxybut-3-enyl]disulfanyl]-2-methylpropanoic acid
CID 89028800
2,3-diaminopropanoyl(methyl)carbamic acid
CID 175867666
(2S)-1,2-diaminopentan-3-one
CID 88560983
2,3-diamino-1-phenylpropan-1-one
CID 4990100
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
CID 55284564
3-amino-2-methylidenepentanoic acid
CID 23312012
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949297
1-iodoprop-2-ene-1,2-diamine
CID 126580837
disodium;1,2-diaminoethanol;hydride
CID 175201156
propan-2-yl 2,3-diaminopropanoate
CID 141295176
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-diaminobut-1-en-2-ol?
The IUPAC name of (3R)-3,4-diaminobut-1-en-2-ol (CID 129030503) is (3R)-3,4-diaminobut-1-en-2-ol.
What is the SMILES notation for (3R)-3,4-diaminobut-1-en-2-ol?
The canonical SMILES for (3R)-3,4-diaminobut-1-en-2-ol is C=C(O)[C@H](N)CN.
What is the InChIKey of (3R)-3,4-diaminobut-1-en-2-ol?
The InChIKey is RGLAYANYMGIVDU-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(7)4(6)2-5/h4,7H,1-2,5-6H2/t4-/m1/s1.
What are the key properties of (3R)-3,4-diaminobut-1-en-2-ol?
(3R)-3,4-diaminobut-1-en-2-ol has a molecular weight of 102.14 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-diaminobut-1-en-2-ol is sourced from PubChem (CID 129030503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).