(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid

C7H14N2O2 — CID 89028737

IUPAC(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid
SMILESC=C(N[C@H](C)C(=O)O)[C@@H](C)N
InChIInChI=1S/C7H14N2O2/c1-4(8)5(2)9-6(3)7(10)11/h4,6,9H,2,8H2,1,3H3,(H,10,11)/t4-,6-/m1/s1
InChIKeyAASUEDIDSHACAP-INEUFUBQSA-N
MW158.20 g/mol
LogP-0.09
Rot. Bonds4

About (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid

(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid (PubChem CID 89028737) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid
PubChem CID89028737
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid
SMILESC=C(N[C@H](C)C(=O)O)[C@@H](C)N
InChIInChI=1S/C7H14N2O2/c1-4(8)5(2)9-6(3)7(10)11/h4,6,9H,2,8H2,1,3H3,(H,10,11)/t4-,6-/m1/s1
InChIKeyAASUEDIDSHACAP-INEUFUBQSA-N
XLogP-0.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid (CID 89028737) is (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid is C=C(N[C@H](C)C(=O)O)[C@@H](C)N.
What is the InChIKey of (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid?
The InChIKey is AASUEDIDSHACAP-INEUFUBQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4(8)5(2)9-6(3)7(10)11/h4,6,9H,2,8H2,1,3H3,(H,10,11)/t4-,6-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid?
(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid is sourced from PubChem (CID 89028737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).