2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid

C6H13N3O2 — CID 148983646

IUPAC2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid
SMILESCN/C=C(\N)CNCC(=O)O
InChIInChI=1S/C6H13N3O2/c1-8-2-5(7)3-9-4-6(10)11/h2,8-9H,3-4,7H2,1H3,(H,10,11)/b5-2-
InChIKeyPWFRVYQNGBDQPK-DJWKRKHSSA-N
MW159.19 g/mol
LogP-1.32
Rot. Bonds5

About 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid

2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid (PubChem CID 148983646) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid
PubChem CID148983646
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid
SMILESCN/C=C(\N)CNCC(=O)O
InChIInChI=1S/C6H13N3O2/c1-8-2-5(7)3-9-4-6(10)11/h2,8-9H,3-4,7H2,1H3,(H,10,11)/b5-2-
InChIKeyPWFRVYQNGBDQPK-DJWKRKHSSA-N
XLogP-1.32
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoethyl-[2-[bis(carboxymethyl)amino]prop-2-enyl]-bis(carboxymethyl)azanium
CID 90908505
(Isopropenylamino)acetic acid
CID 25219537
(2R)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]propanoic acid
CID 89028737
2-[2-[Carboxymethyl-[2-(methylamino)prop-2-enyl]amino]ethylamino]acetic acid
CID 89054664
2-[3-(Methylamino)prop-1-en-2-ylamino]acetic acid
CID 89355989
2-[2-(2-Hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
2-[3-[(2-Aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
CID 90385984
2-(3-Aminobut-1-en-2-ylamino)acetic acid
CID 118414888
2-[[(E)-1-aminoprop-1-en-2-yl]amino]acetic acid
CID 129171383
2-[[(E)-but-2-en-2-yl]amino]acetic acid
CID 130325039
3-Amino-2-(prop-1-en-2-ylamino)propanoic acid
CID 135150363
2-(2-Ethylidenepiperazin-1-yl)acetic acid
CID 141044392

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid (CID 148983646) is 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid is CN/C=C(\N)CNCC(=O)O.
What is the InChIKey of 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid?
The InChIKey is PWFRVYQNGBDQPK-DJWKRKHSSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-8-2-5(7)3-9-4-6(10)11/h2,8-9H,3-4,7H2,1H3,(H,10,11)/b5-2-.
What are the key properties of 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid?
2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid has a molecular weight of 159.19 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid is sourced from PubChem (CID 148983646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).