(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol

C7H13N3O — CID 130673702

IUPAC(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol
SMILESNc1c[nH]cc1[C@H](N)CCO
InChIInChI=1S/C7H13N3O/c8-6(1-2-11)5-3-10-4-7(5)9/h3-4,6,10-11H,1-2,8-9H2/t6-/m1/s1
InChIKeyLJEIURHYJVUZPS-ZCFIWIBFSA-N
MW155.20 g/mol
LogP-0.02
Rot. Bonds3

About (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol

(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol (PubChem CID 130673702) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol
PubChem CID130673702
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol
SMILESNc1c[nH]cc1[C@H](N)CCO
InChIInChI=1S/C7H13N3O/c8-6(1-2-11)5-3-10-4-7(5)9/h3-4,6,10-11H,1-2,8-9H2/t6-/m1/s1
InChIKeyLJEIURHYJVUZPS-ZCFIWIBFSA-N
XLogP-0.02
TPSA88.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 130713759
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
(3S)-3-amino-3-(5-amino-4-oxo-1H-pyridin-3-yl)propanoic acid
CID 130689668
(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol
CID 130608745
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
4-amino-3-[(1S)-1-amino-3-hydroxypropyl]benzonitrile
CID 130699567
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
CID 130706826
4-[(1S)-1-amino-3-hydroxypropyl]furan-3-ol
CID 130664913
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol (CID 130673702) is (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol is Nc1c[nH]cc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is LJEIURHYJVUZPS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O/c8-6(1-2-11)5-3-10-4-7(5)9/h3-4,6,10-11H,1-2,8-9H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol?
(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 130673702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).