2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid

C8H16N2O2 — CID 88704450

IUPAC2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
SMILESCC(C)=CC(CN)NCC(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(2)3-7(4-9)10-5-8(11)12/h3,7,10H,4-5,9H2,1-2H3,(H,11,12)
InChIKeyHWKXSQWIEGDSTC-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid

2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid (PubChem CID 88704450) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
PubChem CID88704450
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
SMILESCC(C)=CC(CN)NCC(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(2)3-7(4-9)10-5-8(11)12/h3,7,10H,4-5,9H2,1-2H3,(H,11,12)
InChIKeyHWKXSQWIEGDSTC-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
CID 87428208
2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid
CID 54537730
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
2-(carboxymethylamino)propanoic acid
CID 2764308
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
CID 87496959
(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
2-[[(Z)-pent-3-en-2-yl]amino]acetic acid
CID 143858966
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
2-[1-(diaminomethylideneamino)ethylamino]acetic acid
CID 87120373
3-acetyl-5-methylhex-4-enoic acid
CID 154103904

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid?
The IUPAC name of 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid (CID 88704450) is 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid is CC(C)=CC(CN)NCC(=O)O.
What is the InChIKey of 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid?
The InChIKey is HWKXSQWIEGDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)3-7(4-9)10-5-8(11)12/h3,7,10H,4-5,9H2,1-2H3,(H,11,12).
What are the key properties of 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid?
2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid is sourced from PubChem (CID 88704450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).