2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid

C10H22N2O5 — CID 160542223

IUPAC2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid
SMILESCC(CO)NCC(=O)O.CCCNCC(=O)O
InChIInChI=1S/C5H11NO3.C5H11NO2/c1-4(3-7)6-2-5(8)9;1-2-3-6-4-5(7)8/h4,6-7H,2-3H2,1H3,(H,8,9);6H,2-4H2,1H3,(H,7,8)
InChIKeyQWXZNPAJICZWAM-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.89
Rot. Bonds8

About 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid

2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid (PubChem CID 160542223) has the molecular formula C10H22N2O5 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid
PubChem CID160542223
Molecular FormulaC10H22N2O5
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid
SMILESCC(CO)NCC(=O)O.CCCNCC(=O)O
InChIInChI=1S/C5H11NO3.C5H11NO2/c1-4(3-7)6-2-5(8)9;1-2-3-6-4-5(7)8/h4,6-7H,2-3H2,1H3,(H,8,9);6H,2-4H2,1H3,(H,7,8)
InChIKeyQWXZNPAJICZWAM-UHFFFAOYSA-N
XLogP-0.89
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
2-(carboxymethylamino)propanoic acid
CID 2764308
2-[(3-methyl-4-oxopentyl)amino]acetic acid
CID 175017572
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
ethane;3-(propylamino)propanoic acid
CID 145416081
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
carbamic acid;2-(2-hydroxyethylamino)propan-1-ol
CID 88506214
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid?
The IUPAC name of 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid (CID 160542223) is 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid?
The canonical SMILES for 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid is CC(CO)NCC(=O)O.CCCNCC(=O)O.
What is the InChIKey of 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid?
The InChIKey is QWXZNPAJICZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C5H11NO2/c1-4(3-7)6-2-5(8)9;1-2-3-6-4-5(7)8/h4,6-7H,2-3H2,1H3,(H,8,9);6H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid?
2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid has a molecular weight of 250.29 g/mol, XLogP of -0.89, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid is sourced from PubChem (CID 160542223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).