2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid

C10H13N3O3 — CID 107341028

IUPAC2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
SMILESCC(N)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(11)10(16)13-8-3-2-7(12-5-8)4-9(14)15/h2-3,5-6H,4,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyHDMLWWKBPOUGJX-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.01
Rot. Bonds4

About 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid

2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid (PubChem CID 107341028) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
PubChem CID107341028
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
SMILESCC(N)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(11)10(16)13-8-3-2-7(12-5-8)4-9(14)15/h2-3,5-6H,4,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyHDMLWWKBPOUGJX-UHFFFAOYSA-N
XLogP-0.01
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173
2-[5-(2-aminopent-4-ynoylamino)-2-pyridinyl]acetic acid
CID 107341014
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
CID 107341135
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid (CID 107341028) is 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid is CC(N)C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid?
The InChIKey is HDMLWWKBPOUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(11)10(16)13-8-3-2-7(12-5-8)4-9(14)15/h2-3,5-6H,4,11H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid?
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).