(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile

C7H10N4 — CID 130971587

IUPAC(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
SMILESN#CC[C@H](N)c1c[nH]c(N)c1
InChIInChI=1S/C7H10N4/c8-2-1-6(9)5-3-7(10)11-4-5/h3-4,6,11H,1,9-10H2/t6-/m0/s1
InChIKeyYXEDYNLWLDKQKS-LURJTMIESA-N
MW150.18 g/mol
LogP0.51
Rot. Bonds2

About (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile

(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile (PubChem CID 130971587) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
PubChem CID130971587
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
SMILESN#CC[C@H](N)c1c[nH]c(N)c1
InChIInChI=1S/C7H10N4/c8-2-1-6(9)5-3-7(10)11-4-5/h3-4,6,11H,1,9-10H2/t6-/m0/s1
InChIKeyYXEDYNLWLDKQKS-LURJTMIESA-N
XLogP0.51
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
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3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
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(3R)-3-amino-3-(3,5-dichlorophenyl)propanenitrile;hydrochloride
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(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
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3-amino-3-(4-aminothiophen-2-yl)propanenitrile
CID 130000433
(3S)-3-amino-3-(4-aminothiophen-2-yl)propanenitrile
CID 130699826
(3R)-3-amino-3-(4-chloro-3,5-difluorophenyl)propanenitrile
CID 130634209
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
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3-amino-3-(4-propan-2-ylphenyl)propanenitrile
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(3S)-3-amino-3-(6-amino-5-iodo-3-pyridinyl)propanenitrile
CID 131218152

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile?
The IUPAC name of (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile (CID 130971587) is (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile.
What is the SMILES notation for (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile?
The canonical SMILES for (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile is N#CC[C@H](N)c1c[nH]c(N)c1.
What is the InChIKey of (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile?
The InChIKey is YXEDYNLWLDKQKS-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N4/c8-2-1-6(9)5-3-7(10)11-4-5/h3-4,6,11H,1,9-10H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile?
(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile is sourced from PubChem (CID 130971587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).