2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid

C10H18N2O3 — CID 107570062

IUPAC2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)[C@@H](N)CCC
InChIInChI=1S/C10H18N2O3/c1-3-5-8(11)10(15)12(6-4-2)7-9(13)14/h4,8H,2-3,5-7,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyUJSOOCIBKLRERU-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.21
Rot. Bonds7

About 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid

2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid (PubChem CID 107570062) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
PubChem CID107570062
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)[C@@H](N)CCC
InChIInChI=1S/C10H18N2O3/c1-3-5-8(11)10(15)12(6-4-2)7-9(13)14/h4,8H,2-3,5-7,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyUJSOOCIBKLRERU-QMMMGPOBSA-N
XLogP0.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-methylsulfonylbutanoyl)-prop-2-enylamino]acetic acid
CID 79264585
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid (CID 107570062) is 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)[C@@H](N)CCC.
What is the InChIKey of 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid?
The InChIKey is UJSOOCIBKLRERU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-5-8(11)10(15)12(6-4-2)7-9(13)14/h4,8H,2-3,5-7,11H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid?
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 107570062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).