(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid

C7H15N3O3 — CID 121428706

IUPAC(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
SMILESCN[C@H](CNC(=O)CCN)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-9-5(7(12)13)4-10-6(11)2-3-8/h5,9H,2-4,8H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyAGSNLSKWNINPMS-RXMQYKEDSA-N
MW189.21 g/mol
LogP-1.88
Rot. Bonds6

About (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid

(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid (PubChem CID 121428706) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
PubChem CID121428706
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
SMILESCN[C@H](CNC(=O)CCN)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-9-5(7(12)13)4-10-6(11)2-3-8/h5,9H,2-4,8H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyAGSNLSKWNINPMS-RXMQYKEDSA-N
XLogP-1.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
[(2S)-6-(3-aminopropanoylamino)-2-(methylamino)hexanoyl]oxidanium
CID 145125415
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
CID 166903453
(2S)-4-(2-hydroxypropylamino)-2-(methylamino)-4-oxobutanoic acid
CID 59693559
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid?
The IUPAC name of (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid (CID 121428706) is (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid?
The canonical SMILES for (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid is CN[C@H](CNC(=O)CCN)C(=O)O.
What is the InChIKey of (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid?
The InChIKey is AGSNLSKWNINPMS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-9-5(7(12)13)4-10-6(11)2-3-8/h5,9H,2-4,8H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid?
(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of -1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid is sourced from PubChem (CID 121428706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).